Molecule Details

NIC-UNK-a1379f79-2 View Submission
CO
Molecular Properties
SMILES:
CO
MW: 32.03
Fraction sp3: 1.0
HBA: 1
HBD: 1
Rotatable Bonds: 0
TPSA: 20.23
cLogP: -0.39
Covalent Warhead: ✗
Covalent Fragment: ✗

CCO

JAM-UNK-fcc74568-1
0.286

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CCl

NIC-UNK-a1379f79-3
0.200

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CCC(=N)N

AAR-POS-d2a4d1df-17
0.182

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CC#N

MAK-UNK-4b073b5c-7
0.125

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CC1C(O)C1C#N

ASH-UNK-e28bb067-1
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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COC1C(O)C(O)C(O)C(O)C1O

MAR-TRE-ebcc4ad6-27
0.111

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Oc1ccccn1

AAR-POS-0daf6b7e-37
0.105

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CS(#N)=O

MAK-UNK-95198336-16
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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C=C(C)C(CC=C(C)C)COC(C)=O

BET-COM-8a5969bb-2
0.094

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CC1C(C#N)C1C(N)=O

ABI-SAT-2adc218e-5
0.087

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CC(Cl)C(=O)NC1CC1

MAK-UNK-f983951f-9
0.083

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c1ccncc1

KTA-UNK-dac325de-3
0.083

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N=C(N)CCl

SAD-SAT-1b030f84-1
0.083

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CC(C)=CCCS(N)(=O)=O

MAK-UNK-53da93bf-4
0.083

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CC1CCC2(CC1)OCC2C

MAK-UNK-0cb6a3ad-4
0.080

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

MAT-POS-162a9720-9
0.080

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COc1cc(CO)cc(OC)c1O

MAR-TRE-ebcc4ad6-26
0.077

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

MAK-UNK-4b073b5c-10
0.077

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.077

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CC(O)C1N=CNC1=O

ASH-UNK-e28bb067-10
0.077

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

AAR-POS-0daf6b7e-21
0.077

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CCNCC(O)S(N)(=O)=O

MAK-UNK-53da93bf-1
0.077

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

TIM-UNK-7a1fe160-1
0.074

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COC(=O)c1cc(O)c(O)c(O)c1

MAR-TRE-ebcc4ad6-38
0.074

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

MAR-TRE-d3c2bf0e-18
0.074

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COC(=O)c1ccc(C(N)=O)cc1

SAN-PRS-c955de36-1
0.074

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

JOH-IMS-1436231f-5
0.074

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

MAK-UNK-0cb6a3ad-5
0.074

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COc1cc(C[C@@H](N)C(=O)O)ccc1O

MAR-TRE-e86a56b5-52
0.073

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COc1cc(C2(C#N)CCCC2)ccc1O

MAR-TRE-14ce9fd6-32
0.073

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CN1CCC(C(=O)NC2CCCCC2NC(=O)C2CCCCC2)CC1

GIA-UNK-d2defdc3-3
0.073

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CC(=O)N1CCN(C(=O)Cc2ccccn2)CC1

JON-UIO-066ce08b-3
0.071

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CC(C)=CCN1CCC(O)CC1

MAK-UNK-5e88aa6a-12
0.071

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CN1C(=O)NC1=O

MAK-UNK-4b073b5c-11
0.071

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.071

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.071

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.070

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CC(=O)N1CCN(C(=O)C(F)c2ccccn2)CC1

JON-UIO-066ce08b-1
0.070

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

SUN-DEP-1496052a-1
0.069

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

SUN-DEP-1496052a-2
0.069

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CC(C)=C1CCC(C)CC1=O

MAK-UNK-0cb6a3ad-9
0.069

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CC(C)=C1CC[C@@H](C)CC1=O

AAR-POS-fca48359-17
0.069

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

MAR-TRE-d3c2bf0e-48
0.069

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C=C(C)C1CC=C(C)CC1

MAN-UNK-e04cca0d-1
0.069

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OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O

JOH-UNI-44664832-3
0.069

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.069

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

MAR-TRE-d3c2bf0e-38
0.069

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CC(Cl)C(=O)N1CCOCC1

MAK-UNK-f983951f-6
0.069

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CC(=O)OCC(COC(C)=O)Oc1csc(CCl)n1

MAR-TRE-36bf7dba-48
0.068

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C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1

MAR-TRE-fffca54f-79
0.067

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OCC(O)C(O)C(O)C(O)CO

MAR-TRE-ebcc4ad6-42
0.067

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

SAD-SAT-d8079f6f-1
0.067

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CCCC(O)N1CCC(O)CC1

MAK-UNK-5e88aa6a-11
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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O=S1(=O)CC(O)C1

AAR-POS-0daf6b7e-24
0.067

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Oc1ccccc1

RAM-UNK-6a5d9687-1
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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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.067

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COc1cc(Cn2ccn(Cc3ccc(O)c(OC)c3)c2=[Au+]Cl)ccc1O

MAR-TRE-d3c2bf0e-66
0.067

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CCCCCC(C)NC(=O)COc1ccccc1

ALE-UNK-fca05062-7
0.065

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

MAK-UNK-c8c8f7e2-2
0.065

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

MAK-UNK-7a704a63-11
0.065

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

MAK-UNK-c8c8f7e2-4
0.065

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COC(=O)c1ccc(S(N)(=O)=O)cc1

MAT-POS-7dfc56d9-1
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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O=C(CC(CS[Au])C(=O)O[Na])O[Na]

JOH-UNI-42710746-1
0.065

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

MAK-UNK-704ed37c-12
0.065

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COc1cc(NC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

ANT-LOU-17aa1493-2
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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CNC(=O)N(C)CCN(C)C(=O)CCl

VIK-SYN-bf9c9ac8-5
0.065

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

MAK-UNK-f983951f-19
0.065

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CCNCc1cn(C)nn1

AAR-POS-0daf6b7e-34
0.065

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CC/C(N)=N\c1cncnc1

SUG-SAT-424020ef-1
0.065

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CS(=O)(=O)C1=NC=CC(O)N1

ABI-SAT-27442b71-2
0.065

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CC(=O)Nc1cncc(N)c1

DAN-PUR-19f24f0c-1
0.065

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CN(C(=O)CCl)C1CCCCC1

SAD-SAT-d8079f6f-9
0.065

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CN(C(=O)CCl)c1ccccc1

SAD-SAT-d8079f6f-8
0.065

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

MAR-TRE-4f39ef4a-72
0.064

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.062

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
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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CC(=O)C(C)c1cccnc1

MAK-UNK-2c1752f0-2
0.062

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.062

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CC(=O)NCCc1ccccc1

ANT-DIA-b7f58f21-4
0.062

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CC1CNCCN1CCO

MAT-POS-162a9720-14
0.062

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

AHN-SAT-02ef6d10-7
0.062

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CN1C(=O)C(=O)N(CCCNC(=O)c2cncnc2)C1=O

MAR-TRE-e82e6c98-26
0.061

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COc1ccc(C(C)=O)cc1CSCCC#N

MAR-TRE-14ce9fd6-60
0.061

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Cc1ccnc(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-2
0.061

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COc1ccc(N(C)C(=O)c2ccccn2)cc1OC

JON-UNI-93996c9d-1
0.061

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CC(=O)N1[C@@H](CC(N)=O)C2C[C@]1(C(C)=O)CN2C(=O)CCl

MAK-UNK-ec98eaf6-30
0.061

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COCCC(=O)CCNS(C)(=O)=O

WIL-LEE-364b6ea8-20
0.061

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CC(=O)N(CC(=O)O)c1cncnc1

MAR-TRE-85681e92-77
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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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)Cn1ccn(CC(=O)OC)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-65
0.061

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Discussion:

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