Molecular Properties | |
SMILES: | N#CCC1CCS(=O)(=O)C1 |
MW: | 159.04 |
Fraction sp3: | 0.83 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 57.93 |
cLogP: | 0.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6312737839 |
MolPort: | MolPort-011-526-801 |
AAR-POS-0daf6b7e-24
0.250
SAD-SAT-5b1897b2-6
0.245
ABI-SAT-4d06482b-3
0.231
ABI-SAT-4d06482b-4
0.215
SAD-SAT-89668ff1-1
0.214
MAK-UNK-6c8f5f75-1
0.213
MAK-UNK-9b4e5ff2-6
0.212
ABI-SAT-2adc218e-8
0.211
DAN-PUR-6788a628-1
0.211
DAN-PUR-6788a628-2
0.211
MAR-TRE-6a44bbf2-37
0.210
MAK-UNK-6c8f5f75-2
0.208
MAR-TRE-e86a56b5-28
0.206
MAK-UNK-a7992eb3-15
0.206
AHN-ATE-25a8153f-1
0.205
SAD-SAT-edc8a235-5
0.205
DAN-PUR-3907f623-3
0.203
SAD-SAT-edc8a235-7
0.200
NJA-MAN-00c90aa2-13
0.192
NJA-MAN-00c90aa2-41
0.190
ABI-SAT-128a7dc3-4
0.189
MAR-TRE-6c5ef77a-34
0.189
MAK-UNK-95198336-1
0.188
MAK-UNK-95198336-10
0.188
MAK-UNK-6ca90168-18
0.188
NJA-MAN-b8640440-44
0.186
ABI-SAT-3cb25904-2
0.184
NJA-MAN-00c90aa2-25
0.182
MAR-TRE-1c920f6f-48
0.182
NJA-MAN-00c90aa2-68
0.181
ABI-SAT-37d087dc-1
0.180
MAR-TRE-14ce9fd6-98
0.180
NJA-MAN-00c90aa2-12
0.179
NJA-MAN-b8640440-37
0.178
SAD-SAT-bc31ec01-2
0.178
NJA-MAN-00c90aa2-40
0.177
NJA-MAN-00c90aa2-1
0.177
NJA-MAN-00c90aa2-27
0.177
MAR-TRE-be9ff7d2-19
0.176
NJA-MAN-00c90aa2-16
0.176
MAK-UNK-1bb0b7ee-2
0.175
ABI-SAT-95eab675-6
0.174
NJA-MAN-b8640440-41
0.174
NJA-MAN-b8640440-43
0.174
GIA-UNK-20b63697-3
0.174
NJA-MAN-b8640440-8
0.173
NJA-MAN-b8640440-39
0.173
MAK-UNK-a7992eb3-7
0.171
NJA-MAN-b8640440-49
0.171
NJA-MAN-00c90aa2-48
0.171
MAR-TRE-6c5ef77a-6
0.171
MAK-UNK-95198336-9
0.170
MAK-UNK-6c8f5f75-5
0.170
MAK-UNK-10dfa458-41
0.169
NJA-MAN-b8640440-46
0.169
NJA-MAN-b8640440-18
0.169
NJA-MAN-b8640440-28
0.169
NJA-MAN-00c90aa2-45
0.169
NJA-MAN-00c90aa2-72
0.169
NJA-MAN-00c90aa2-58
0.169
NJA-MAN-00c90aa2-19
0.167
MAK-UNK-95198336-15
0.167
SAD-SAT-edc8a235-9
0.167
NJA-MAN-00c90aa2-35
0.167
NJA-MAN-00c90aa2-49
0.167
NJA-MAN-00c90aa2-66
0.167
NJA-MAN-00c90aa2-28
0.167
MAK-UNK-987948f6-8
0.167
MAK-UNK-4b073b5c-24
0.167
MAR-TRE-a3327163-19
0.167
NJA-MAN-00c90aa2-4
0.165
NJA-MAN-00c90aa2-2
0.165
NJA-MAN-00c90aa2-11
0.165
NJA-MAN-00c90aa2-38
0.165
NJA-MAN-00c90aa2-43
0.165
NJA-MAN-00c90aa2-70
0.165
NJA-MAN-b8640440-13
0.164
NJA-MAN-b8640440-6
0.164
NJA-MAN-b9fb953f-6
0.164
NJA-MAN-b8640440-5
0.164
NJA-MAN-b8640440-36
0.164
NJA-MAN-b8640440-42
0.164
NJA-MAN-00c90aa2-32
0.164
ALP-POS-67d5babe-5
0.164
MAK-UNK-6ca90168-17
0.163
MAK-UNK-95198336-12
0.163
NJA-MAN-00c90aa2-6
0.163
NJA-MAN-00c90aa2-37
0.163
NJA-MAN-00c90aa2-39
0.163
NJA-MAN-b8640440-12
0.162
NJA-MAN-b8640440-15
0.162
MAR-TRE-7f7bb9f0-68
0.162
INS-INS-bc954fb0-1
0.162
JOH-UNI-27ac80fd-21
0.161
ABI-SAT-2adc218e-7
0.161
NJA-MAN-00c90aa2-21
0.160
NJA-MAN-00c90aa2-33
0.160
ASH-UNK-e28bb067-9
0.160
NJA-MAN-b9fb953f-4
0.160
NJA-MAN-b8640440-9
0.160