Molecule Details

NIC-UNK-a1379f79-3 View Submission
CCl
Molecular Properties
SMILES:
CCl
MW: 49.99
Fraction sp3: 1.0
HBA: 0
HBD: 0
Rotatable Bonds: 0
TPSA: 0.0
cLogP: 0.85
Covalent Warhead: ✗
Covalent Fragment: ✗

Alkyl Halide

CO

NIC-UNK-a1379f79-2
0.200

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CC(C)(C)N1C=CN(C(C)(C)C)C1[Au]Cl

JOH-UNI-44664832-1
0.143

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CCO

JAM-UNK-fcc74568-1
0.125

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CC12C3(C)C4(C)C1(C)C1(C)C2(C)C3(C)C41C

BUT-UNK-efbf8c2c-2
0.125

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N#CCl

MAK-UNK-4b073b5c-9
0.125

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CC(C)(O)CNC(=O)CCl

MAT-POS-162a9720-9
0.125

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CC#N

MAK-UNK-4b073b5c-7
0.125

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CC(C)(C(=O)O)n1ccn(C(C)(C)C(=O)O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-18
0.115

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CC(CO)(CO)n1ccn(C(C)(CO)CO)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-48
0.107

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CC(C)(CO)n1ccn(C(C)(C)CO)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-38
0.107

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CS(#N)=O

MAK-UNK-95198336-16
0.100

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CS(=O)(=O)C(C#N)C(F)(F)F

ABI-SAT-e641dd33-3
0.100

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Cc1cc(O)cc(C)c1Cl

MAK-UNK-0cb6a3ad-1
0.095

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CC1C(C#N)C1C(F)(F)F

ABI-SAT-3cb25904-4
0.095

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CC(=O)NCC(=O)n1ccn(C(=O)CNC(C)=O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-15
0.088

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N=C(N)CCl

SAD-SAT-1b030f84-1
0.083

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CCC(=N)N

AAR-POS-d2a4d1df-17
0.083

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CC(Cl)C(=O)NC1CC1

MAK-UNK-f983951f-9
0.083

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CC(C)(C)OC(=O)Cn1ccn(CC(=O)OC(C)(C)C)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-73
0.083

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CC(CC(=O)O)(CC(=O)O)c1nc(O)sc1CCl

MAR-TRE-aca67d11-87
0.083

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O=C(O)c1ccc(Cn2ccn(Cc3ccc(C(=O)O)cc3)c2=[Au+]Cl)cc1

MAR-TRE-d3c2bf0e-59
0.083

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C[C@H](O[C@H](C)C(F)(F)F)c1cccc(Cl)c1

JOH-ILL-b8b12274-2
0.079

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COC(C)(Cc1nc(O)oc1CCl)OC

MAR-TRE-8a25d817-63
0.079

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CC(C)(C)C(=O)Cc1nc(O)oc1CCl

MAR-TRE-8a25d817-42
0.079

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CC(CCCC(C)(C)O)n1ccn(C(C)CCCC(C)(C)O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-56
0.079

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CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-56
0.077

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.077

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CN1C(=O)N(C)C1=O

MAK-UNK-4b073b5c-10
0.077

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CC(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-21
0.077

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C[C@H](O)c1cccc(Cl)c1

JOH-IMS-1436231f-5
0.074

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CC(C)(C#N)N1CCOCC1

MAK-UNK-be3f299e-7
0.074

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CC1CCC(C(C)(C)O)C(O)C1

TIM-UNK-7a1fe160-1
0.074

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CN(c1c[nH]nc1CCl)C(C)(C)C(=O)O

MAR-TRE-423310b6-58
0.073

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CC(C)(C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1

JOH-UNI-c7afdb96-1
0.073

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Cn1ccn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1=[Au+]Cl

MAR-TRE-4f39ef4a-53
0.073

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CC(C)(NC(=O)c1conc1CCl)C(=O)O

MAR-TRE-a78003aa-59
0.071

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CN1C(=O)NC1=O

MAK-UNK-4b073b5c-11
0.071

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.071

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.071

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CC(N)(CCCN)C(=O)c1nc(O)sc1CCl

MAR-TRE-aca67d11-96
0.070

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CCOC(=O)C(C)(C(=O)OCC)c1nc(O)oc1CCl

MAR-TRE-8a25d817-34
0.070

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Cc1cccc(N2CCN(C(=O)CCl)CC2)c1

SAD-SAT-5b1897b2-4
0.070

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CC1=CCC(C(C)(C)O)CC1

SUN-DEP-1496052a-1
0.069

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CC(Cl)C(=O)N1CCOCC1

MAK-UNK-f983951f-6
0.069

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.069

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CCP(CC)(CC)=[Au]C1N(C(C)(C)C)C=CN1C(C)(C)C

ANT-OPE-5f377dcc-1
0.069

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Cn1ccn(C(C)(CCC(=O)O)C(=O)O)c1=[Au+]Cl

MAR-TRE-4f39ef4a-80
0.068

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CC(C)(CN)C(=O)Nc1ccc(S(C)(=O)=O)nc1

MAR-TRE-9c797165-68
0.068

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CS(=O)(=O)C1=C(Cl)CC(C#N)C1

ABI-SAT-128a7dc3-7
0.067

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Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24
0.067

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CC(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-987948f6-5
0.067

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CC(Oc1csc(CCl)n1)c1ccncc1

MAR-TRE-36bf7dba-79
0.067

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N#CCC(F)(F)F

ABI-SAT-3cb25904-3
0.067

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CC1CN(C(=O)CCl)C(C)O1

SAD-SAT-d8079f6f-1
0.067

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Cc1ccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)cc1

AAR-POS-0daf6b7e-7
0.067

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CC(C)(CNC(=O)c1conc1CCl)C(=O)O

MAR-TRE-a78003aa-32
0.067

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CC(C(=O)O)n1ccn(C(C)C(=O)O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-25
0.067

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CC(=O)N(Cl)c1cccc(N2CCCC2=O)c1

MAK-UNK-c8c8f7e2-4
0.065

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CC(=O)CC(=O)n1ccn(C(=O)CC(C)=O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-58
0.065

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CC(Cl)C(=O)NC(=O)NC1CC1

MAK-UNK-f983951f-19
0.065

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CN(C(=O)CCl)c1ccccc1

SAD-SAT-d8079f6f-8
0.065

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CNC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-704ed37c-12
0.065

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CNc1ccnc(C#N)n1

MAK-UNK-ed378e62-9
0.065

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CC(Cl)C(=O)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-3
0.065

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CNC(=O)N(C)CCN(C)C(=O)CCl

VIK-SYN-bf9c9ac8-5
0.065

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CN(C(=O)CCl)C1CCCCC1

SAD-SAT-d8079f6f-9
0.065

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Cc1cccc([C@H](C)C(=O)Nc2ccn[nH]2)c1

JAG-UCB-cedd89ab-5
0.064

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Cc1cccc(NCC(=O)NCCCCl)c1

MAK-UNK-af83ef51-13
0.064

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Cc1cccc(CN2CCN(C(O)C(C)Cl)CC2)c1

MAK-UNK-af83ef51-11
0.064

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CC(NC(=O)c1cncnc1)(C(=O)O)c1cc(Cl)cc(Cl)c1

MAR-TRE-be9ff7d2-65
0.064

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C=C(CC(C)(C)C(=O)OC)c1nc(O)oc1CCl

MAR-TRE-8a25d817-70
0.062

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CC(=O)NC(CC(N)=O)C(=O)c1nc(O)sc1CCl

MAR-TRE-aca67d11-25
0.062

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.062

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Cc1ccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)cc1C

MAK-UNK-752736de-1
0.062

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CC[C@](C)(CC(F)F)N1CCCCCC1

JOH-IMS-0f19a540-6
0.062

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C=C(C)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-987948f6-4
0.062

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.062

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O=C(CCl)N1CCN(c2cccc(C(F)(F)F)c2)CC1

NIL-NON-a189c016-1
0.062

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NC1CC1C(F)(F)F

ABI-SAT-2adc218e-2
0.062

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O=C(CCl)N1CCN(c2cccc(C(F)(F)F)c2)CC1

MAT-POS-162a9720-2
0.062

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CCOC(=O)C(C)(C)NC(=O)c1conc1CCl

MAR-TRE-a78003aa-89
0.061

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Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1

MAK-UNK-7c9d1431-15
0.061

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Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1

MAK-UNK-af83ef51-6
0.061

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CC(NC(=O)c1cncnc1)(C(=O)O)c1ccccc1Cl

MAR-TRE-8190bb11-62
0.061

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Cc1cc(Cl)c(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1C

OLE-CAR-5b17bec5-7
0.061

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CCCOC(=O)CNC(=O)c1conc1CCl

MAR-TRE-a78003aa-97
0.061

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CCC(C(=O)O)n1ccn(C(CC)C(=O)O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-22
0.061

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CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.061

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CC(C)(C#N)OCc1ccccc1

MAK-UNK-be3f299e-2
0.061

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CCN(C(=O)CCl)c1ccccc1

SAD-SAT-d8079f6f-7
0.061

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.061

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CC(C)(C)NC[C@H](O)c1cc(O)cc(O)c1

MAR-TRE-fffca54f-63
0.061

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COC(=O)Cn1ccn(CC(=O)OC)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-65
0.061

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N#CC(N)C(C#N)n1ccn(C(C#N)C(N)C#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-35
0.061

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CC(O)C(C(=O)O)n1ccn(C(C(=O)O)C(C)O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-40
0.061

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COC(=O)C(C)n1ccn(C(C)C(=O)OC)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-71
0.061

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CCOC(=O)CNC(=O)Cc1nc(O)oc1CCl

MAR-TRE-8a25d817-4
0.060

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CC(C)(C)c1cc(C(=O)O)cc(C(=O)c2nc(O)sc2CCl)c1

MAR-TRE-aca67d11-22
0.060

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Cc1cc(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl

AAR-POS-dddeddbf-2
0.060

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CC(=O)C(CCl)c1cccc(N2CCCC2=O)c1

MAK-UNK-c8c8f7e2-6
0.060

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Discussion:

Contributor: Nicholas Gulisek - Wed, 26 Jan 2022 18:48:11 +0000