Molecule Details

JAM-UNK-fcc74568-1 View Submission
CCO
Molecular Properties
SMILES:
CCO
MW: 46.069
Fraction sp3: 1.0
HBA: 1
HBD: 1
Rotatable Bonds: 0
TPSA: 20.23
cLogP: -0.00140000000000001
Covalent Warhead: ✗
Covalent Fragment: ✗
Source
Mcule: MCULE-8818474596
MolPort: MolPort-001-785-844

CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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CCC(=N)N

AAR-POS-d2a4d1df-17
0.333

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CO

NIC-UNK-a1379f79-2
0.286

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

MAR-TRE-ebcc4ad6-42
0.188

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CCCCC1C(CCCC)C1CCCC

THE-UNK-833274f3-1
0.167

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CCCCC1C(CCCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C1CCCC

THE-UNK-833274f3-5
0.167

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CCCCC1C(CCCC)C(CCCC)C(CCCC)C(CCCC)C1CCCC

THE-UNK-833274f3-4
0.167

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CCCCC1C(CCCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C1CCCC

THE-UNK-833274f3-6
0.167

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CCCCC1C(CCCC)C(CCCC)C(CCCC)C1CCCC

THE-UNK-833274f3-3
0.167

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CCCCC1C(CCCC)C(CCCC)C1CCCC

THE-UNK-833274f3-2
0.167

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NC1C(=O)C1CO

ABI-SAT-2adc218e-6
0.158

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

MAK-UNK-53da93bf-1
0.148

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COc1cc(CO)cc(OC)c1O

MAR-TRE-ebcc4ad6-26
0.148

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N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.143

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COc1ccccc1OCC(O)CO

KEI-TRE-fa9ada3e-3
0.143

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N=C(N)CCl

SAD-SAT-1b030f84-1
0.143

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OCc1cncnc1

JOH-IMS-4b4cc7e6-2
0.136

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CCCCC1C(CCC)C(CCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C1CCCC

THE-UNK-833274f3-8
0.136

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CCCCC1C(CCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C(CCCC)C1CCCC

THE-UNK-833274f3-7
0.136

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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
0.133

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

MAR-TRE-d3c2bf0e-48
0.133

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

MAR-TRE-d3c2bf0e-38
0.133

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

JOH-IMS-1436231f-3
0.132

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CCCCCCCCCCCC(=O)OCC(O)CO

GIA-UNK-4c151a93-1
0.132

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N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.130

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CCCC(O)N1CCC(O)CC1

MAK-UNK-5e88aa6a-11
0.129

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CCOC(=O)C(C#N)C(=O)c1ccc(N)cc1

MAR-TRE-0fda4e82-80
0.128

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CCl

NIC-UNK-a1379f79-3
0.125

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CC/C(N)=N\c1cncnc1

SUG-SAT-424020ef-1
0.125

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CCC(C(=O)O)C(=O)c1nc(O)sc1CCl

MAR-TRE-aca67d11-53
0.125

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CCNCc1cn(C)nn1

AAR-POS-0daf6b7e-34
0.125

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CC1CNCCN1CCO

MAT-POS-162a9720-14
0.121

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

AHN-SAT-02ef6d10-7
0.121

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CCC1N=CNC1=O

MAK-UNK-4b073b5c-13
0.120

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

MAR-TRE-d3c2bf0e-22
0.118

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CCN(C(=O)CCl)c1ccccc1

SAD-SAT-d8079f6f-7
0.118

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Cc1cc(F)ccc1[C@](C)(CO)NC1CC1

JOH-IMS-54aa76a2-6
0.116

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

MAK-UNK-53da93bf-4
0.115

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

VIK-SYN-bf9c9ac8-2
0.114

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

MAR-TRE-d3c2bf0e-26
0.114

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CC[C@H](c1cncnc1)[C@H](O)N(C)C

JOH-IMS-4b4cc7e6-4
0.114

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CCC(=O)Nc1cccnc1

JOH-IMS-62aeb97d-5
0.111

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C[C@@](CO)(NC1CC1)N1CCCCCC1

JOH-IMS-7e73aedd-5
0.111

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.111

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

MAT-POS-162a9720-9
0.111

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CCOC(=O)C(Br)Cc1nc(O)oc1CCl

MAR-TRE-8a25d817-62
0.111

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CCC(=O)N1COC(C#N)C1

SAD-SAT-6b5a89f0-7
0.111

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CCCCC(C(=O)O)C(=O)c1nc(O)sc1CCl

MAR-TRE-aca67d11-54
0.109

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CCOC(=O)C(CO)Nc1c[nH]nc1CCl

MAR-TRE-423310b6-88
0.109

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CCC(CC)C(=O)C(C#N)C(=O)Nc1ccc(F)cc1

JOH-UNI-c7afdb96-14
0.109

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

MAR-TRE-d3c2bf0e-80
0.108

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CCOc1ccc(C(=O)CC#N)cc1

MAR-TRE-0fda4e82-97
0.108

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

AAR-POS-0daf6b7e-21
0.107

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CS(=O)(=O)CC#N

MAK-UNK-95198336-15
0.105

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CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.105

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CCC(=O)Cc1nc(O)oc1CCl

MAR-TRE-8a25d817-86
0.105

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NCC(N)C(=O)O

HUN-WAB-acb6a578-1
0.105

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N#CCC(N)=O

MAK-UNK-4b073b5c-24
0.105

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CNC(=O)N1CCN(C(C)=C(CO)SC)CC1

JON-UNI-57097b3f-3
0.105

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Cc1cccc(C(=O)NCCCNC(=O)c2cccc(C)c2)c1

AAR-UNI-c25c2f1e-89
0.105

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N#CCC(O)(F)F

ABI-SAT-128a7dc3-2
0.105

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CC(N)CC#N

ABI-SAT-3cb25904-1
0.105

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CCN1CCN(c2ccc(NC(C)=O)cn2)C1=O

MAR-TRE-67513f76-74
0.104

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

JOH-IMS-1436231f-5
0.103

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CCOC(=O)c1sc(C)c(C#N)c1N

MAR-TRE-0fda4e82-66
0.103

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CCC(=O)N1CCC(C(=O)SCF)CC1

GIA-UNK-995df016-7
0.103

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CCOC(=O)c1c(N)c(C#N)cn1C

MAR-TRE-6c5ef77a-76
0.103

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CC(Nc1cnc(CCl)[nH]1)C(=O)O

MAR-TRE-87acfbcc-79
0.103

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CCCc1ccc(OCC(=O)N2CCN(C)CC2)cc1

JOH-IMS-cc7b4c67-1
0.102

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CC[C@H](N)C(=O)Nc1cnc(OC)c(C(N)=O)c1

MAR-TRE-67513f76-98
0.100

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CCOC(=O)c1c(C)oc(N)c1C#N

MAR-TRE-6c5ef77a-69
0.100

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CC(C)=CCN1CCC(O)CC1

MAK-UNK-5e88aa6a-12
0.100

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CCC(=O)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-11
0.100

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CCCOC(=O)CNC(=O)c1conc1CCl

MAR-TRE-a78003aa-97
0.100

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CCC(=O)S1=CN(C(=O)C#N)CC=C1

ABI-SAT-897caeb8-3
0.100

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CCCCCCCOP(=S)(S)OCCCCCCC

MAK-UNK-0cb6a3ad-2
0.100

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.100

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CS(=O)(=O)C(=O)CNC(=O)[C@H](CO)C(=O)C1=CC=CCC1

WIL-LEE-364b6ea8-4
0.100

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

MAR-TRE-aca67d11-27
0.100

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OCC1OC(O)CC(O)C1O

MAR-TRE-ebcc4ad6-31
0.100

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Cc1c(CS(N)(=O)=O)ccc(F)c1CO

JOH-IMS-54aa76a2-3
0.100

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OCC(CO)Nc1cncnc1

MAR-TRE-85681e92-83
0.100

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Cc1c(C[C@H](N)C(=O)O)ccc(O)c1O

MAR-TRE-e86a56b5-24
0.100

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Cn1c(=O)c2c(ncn2CCO)n(C)c1=O

MAR-TRE-fffca54f-83
0.100

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CCOC(=O)CC(NC(=O)c1cncnc1)c1ccc(F)cc1F

MAR-TRE-a9136c7b-58
0.100

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CC(C)(C)[C@@H](N)C(=O)NCC(=O)Nc1cccnc1

MAR-TRE-67513f76-93
0.098

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CCC(=O)CCc1nc(O)oc1CCl

MAR-TRE-8a25d817-67
0.098

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CCNc1sc(C(C)=O)c(N)c1C#N

MAR-TRE-6c5ef77a-79
0.098

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CCC(Nc1cnc(CCl)[nH]1)C(=O)O

MAR-TRE-87acfbcc-41
0.098

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CCOC(=O)CN(C(C)=O)c1cncnc1

MAR-TRE-85681e92-55
0.098

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.097

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

ANT-OPE-5f377dcc-1
0.097

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CCNc1ccc(F)cc1CN1CCN(C(C)=O)CC1

JAN-GHE-fd8d85a5-10
0.096

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CC[C@H](N)C(=O)Nc1cnc2onc(C)c2c1

MAR-TRE-67513f76-42
0.096

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CC/C=C(\N)Cc1ccc(C#N)nc1

MAK-UNK-9955b1f3-9
0.095

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

MAR-TRE-8a25d817-37
0.095

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O=C(O)CC(O)(CC(=O)O)C(=O)O

MAR-TRE-fffca54f-85
0.095

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CNCc1c[nH]c2ccc(F)cc12

DAR-DIA-eace69ff-36
0.095

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CC(=O)CC(=O)NCCCc1ccc(CO)cc1

NEL-UNI-1464a899-6
0.095

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CC(NC(=O)CCl)c1cccc(Cl)c1

AAR-POS-0daf6b7e-10
0.095

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CCOC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1

ANT-LOU-17aa1493-3
0.095

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Discussion:

Contributor: Jame Cole - Thu, 02 Apr 2020 21:31:22 +0000