Molecule Details

MAK-UNK-4b073b5c-9 View Submission
N#CCl
Molecular Properties
SMILES:
N#CCl
MW: 60.97
Fraction sp3: 0.0
HBA: 1
HBD: 0
Rotatable Bonds: 0
TPSA: 23.79
cLogP: 0.71
Covalent Warhead: ✗
Covalent Fragment: ✔️

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

View

CC#N

MAK-UNK-4b073b5c-7
0.333

View
N#CCF

ABI-SAT-2adc218e-7
0.250

View
N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.235

View
N#CC1CC1

MAK-UNK-95198336-1
0.214

View
CC(F)C#N

ABI-SAT-128a7dc3-3
0.214

View
N#CC12CC1C2

MAK-UNK-95198336-2
0.200

View
CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.200

View
N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.188

View
N#CCC(F)(F)F

ABI-SAT-3cb25904-3
0.188

View
N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.188

View
N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.188

View
N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.176

View
N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.176

View
N#CC1CC1F

ABI-SAT-3cb25904-6
0.176

View
CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.176

View
N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.176

View
N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.176

View
N#CCC(O)(F)F

ABI-SAT-128a7dc3-2
0.167

View
N#Cc1ncc(Cl)cn1

AAR-RCN-934be69e-1
0.167

View
O

NIC-UNK-a1379f79-1
0.167

View
CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.167

View
N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.167

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

MAK-UNK-95198336-15
0.167

View
N#CCC(N)=O

MAK-UNK-4b073b5c-24
0.167

View
N#CCS(N)(=O)=O

SAD-SAT-edc8a235-9
0.167

View
CC(N)CC#N

ABI-SAT-3cb25904-1
0.167

View
N#CC1=NCC1

ABI-SAT-95eab675-4
0.167

View
CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.167

View
O

FUN-UNK-4860b43a-7
0.167

View
CC(C#N)S(C)(=O)=O

ABI-SAT-e641dd33-1
0.158

View
N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.158

View
N#Cc1cs[nH]1

ABI-SAT-f7794817-1
0.158

View
CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.158

View
N#CC(F)C1CC1

ABI-SAT-128a7dc3-4
0.150

View
N#CC(F)C(N)=O

ASH-UNK-e28bb067-2
0.150

View
N#Cc1nccc(Cl)n1

AAR-RCN-37d0aa00-1
0.148

View
N#CCn1ccn(CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-72
0.143

View
N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.143

View
N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.143

View
Cc1[nH]sc1C#N

ABI-SAT-27442b71-1
0.143

View
CS(=O)(=O)CCC#N

MAK-UNK-95198336-14
0.143

View
CSC1CC1C#N

ASH-UNK-e28bb067-7
0.136

View
N#CC12CC3CC(CC(C3)C1)C2

MAK-UNK-be3f299e-8
0.136

View
CNC1CC1C#N

MAK-UNK-9b4e5ff2-5
0.136

View
COC1CC1C#N

ASH-UNK-e28bb067-6
0.136

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

ABI-SAT-e641dd33-3
0.136

View
N#CC1=NNC1O

ABI-SAT-95eab675-2
0.136

View
Cn1cc(C#N)s1

ABI-SAT-95eab675-1
0.136

View
N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.136

View
N#CC1=NCC1F

ABI-SAT-95eab675-3
0.136

View
N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.133

View
N#CCC1C=CC=C1

AHN-ATE-25a8153f-1
0.130

View
N#CC(C(F)(F)F)S(N)(=O)=O

ABI-SAT-e641dd33-2
0.130

View
N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.130

View
N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.130

View
N#CC1C2C1C2C(F)(F)F

ABI-SAT-2adc218e-4
0.130

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

ABI-SAT-3cb25904-4
0.130

View
N#CC1(NC(=O)CCl)CCC1

MAK-UNK-f983951f-17
0.129

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

ABI-SAT-128a7dc3-7
0.129

View
N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.125

View
CNc1ccnc(C#N)n1

MAK-UNK-ed378e62-9
0.125

View
CC1C(C#N)C1S(C)(=O)=O

ABI-SAT-3cb25904-5
0.125

View
N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.125

View
Cc1nnc(C#N)s1

ABI-SAT-aa268ad7-11
0.125

View
N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.125

View
N#CCCn1c(=O)n(CCC#N)c(=O)n(CCC#N)c1=O

MAR-TRE-6c5ef77a-6
0.125

View
N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.125

View
CS(=O)(=O)C1CC1C#N

MAK-UNK-95198336-13
0.125

View
N#Cc1nncs1

MAK-UNK-987948f6-14
0.125

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

ABI-SAT-2adc218e-9
0.125

View
CCl

NIC-UNK-a1379f79-3
0.125

View
N#CC1CN(C(=O)CCl)O1

MAK-UNK-95198336-10
0.125

View
N#CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-17
0.125

View
CS(=O)(=O)C1=C(C#N)C1

MAK-UNK-95198336-17
0.125

View
N#CCSCC(=O)Nc1ccc(Cl)cc1

MAR-TRE-a3327163-48
0.122

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

MAR-TRE-d3c2bf0e-49
0.121

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

MAR-TRE-d3c2bf0e-81
0.121

View
N#CC1CN(C(=O)CCl)C1O

ASH-UNK-e28bb067-9
0.121

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

ABI-SAT-2adc218e-5
0.120

View
N#Cc1ncc(O)cn1

MAK-UNK-ed378e62-4
0.120

View
Cc1cnc(C#N)nc1

MAK-UNK-ed378e62-2
0.120

View
N#Cc1ncc(Br)cn1

AAR-RCN-98de6bc7-1
0.120

View
Cc1cc(C)nc(C#N)n1

AAR-RCN-8752a6eb-1
0.120

View
N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.120

View
N#CC1C=CC=CS1

SAD-SAT-edc8a235-4
0.120

View
N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.120

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

MAR-TRE-d3c2bf0e-35
0.118

View
N#C/C(C(=O)NCc1ccccc1)=C(/O)CCl

JOH-UNI-c7afdb96-15
0.116

View
Cc1cnc(C#N)[nH]1

MAK-UNK-7732b35b-1
0.115

View
N#Cc1nc(O)c[nH]1

MAK-UNK-7732b35b-3
0.115

View
N#Cc1cccnc1

MAK-UNK-ca11b4f7-4
0.115

View
N#CC1CNC(=O)C1

SAD-SAT-edc8a235-2
0.115

View
CS(=O)(=O)C1CC(C#N)C1

MAK-UNK-95198336-12
0.115

View
N#CCCS(=O)(=O)c1ccc(N)cc1

MAR-TRE-0fda4e82-50
0.114

View
N#CCCS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-1c920f6f-72
0.114

View
N#CC1CCN(C(=O)CCl)C1

SAD-SAT-edc8a235-7
0.114

View
N#CC1(NC(=O)CCl)CCCCC1

MAK-UNK-f983951f-14
0.114

View
N#CC1(NC(=O)CCl)CCCCCC1

MAK-UNK-f983951f-15
0.114

View
N#CC1C=CN(C(=O)CCl)O1

MAK-UNK-6c8f5f75-4
0.111

View
N#CCNS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-1c920f6f-71
0.111

View

Discussion:

Contributor: Maksym Voznyy - Fri, 22 May 2020 06:26:43 +0000