Molecular Properties | |
SMILES: | C=CCN[C@H]1C[C@@H]1NC(=O)N(CNS(=O)(=O)C1CCCCC1)Cc1cc(C)on1 |
MW: | 425.555 |
Fraction sp3: | 0.68 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 116.57 |
cLogP: | 1.62072 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
het-C-het not in ring
isolated alkene
acyclic N-C-N
Long aliphatic chain
Hetero_hetero
AAR-POS-d2a4d1df-9
ALI-DIA-59c2fdb0-5
0.678
ALI-DIA-59c2fdb0-2
0.485
ALI-DIA-59c2fdb0-3
0.455
ALI-DIA-59c2fdb0-1
0.425
ALI-DIA-59c2fdb0-8
0.375
ALI-DIA-59c2fdb0-7
0.362
ALI-DIA-59c2fdb0-6
0.358
ALI-DIA-59c2fdb0-9
0.352
RAF-SAT-b3ff87a1-1
0.341
AAR-POS-d2a4d1df-9
0.322
FRA-DIA-3f9ae552-3
0.317
FRA-DIA-3f9ae552-2
0.314
PET-SGC-210d4c30-1
0.309
SIM-SYN-3099a863-1
0.302
FRA-DIA-3f9ae552-1
0.300
DAR-DIA-37454fd7-1
0.298
DAR-DIA-37454fd7-3
0.292
IFT-SAT-023cfffe-2
0.291
TRY-UNI-9f475305-8
0.270
MAK-UNK-987948f6-1
0.265
SIM-SYN-3099a863-2
0.262
TRY-UNI-9f475305-7
0.261
SIM-SYN-7db9eb24-2
0.261
TRY-UNI-9f475305-6
0.252
PET-SGC-2aaf6909-1
0.250
FRA-DIA-8640f307-1
0.248
IFT-SAT-023cfffe-5
0.246
FRA-DIA-8640f307-3
0.245
FRA-DIA-8640f307-2
0.243
DAR-DIA-37454fd7-2
0.242
DAR-DIA-6a508060-14
0.241
SID-ELM-2583a2cd-15
0.235
MIN-UNA-49990483-1
0.231
ERI-UCB-fbdd3ea1-5
0.228
CHA-KIN-cd2ef30b-1
0.228
NIM-NMI-8bb27a2b-1
0.228
CHA-KIN-f512e507-3
0.227
CHA-KIN-f512e507-1
0.224
DAR-DIA-6a508060-16
0.223
MAR-TRE-f6f5f473-28
0.221
CHA-KIN-f512e507-2
0.220
SAD-SAT-cefd50cc-2
0.218
TRY-UNI-714a760b-1
0.214
ERI-UCB-fbdd3ea1-6
0.211
JAN-GHE-d851b096-7
0.206
ERI-UCB-fbdd3ea1-7
0.205
TRY-UNI-714a760b-7
0.204
CHA-KIN-cd2ef30b-2
0.203
RAF-SAT-b3ff87a1-2
0.202
ERI-UCB-fbdd3ea1-31
0.202
JIM-PRI-216d613d-1
0.201
MAT-POS-136e7878-2
0.200
MAR-TRE-4f781e27-77
0.200
AND-WAB-7d3788f1-1
0.200
NIM-NMI-8bb27a2b-3
0.200
DRR-IMP-11d47bff-1
0.200
MAT-POS-136e7878-1
0.198
UNK-CYC-68f84b31-7
0.198
MAK-UNK-f2409524-3
0.198
CHA-KIN-cd2ef30b-3
0.197
IFT-SAT-023cfffe-4
0.197
MAK-UNK-b2c98f02-2
0.197
MAK-UNK-b2c98f02-4
0.197
WAR-XCH-bdd24732-36
0.196
SID-ELM-8b394441-18
0.193
MAK-UNK-f2409524-17
0.193
SID-ELM-2583a2cd-19
0.192
BEN-DND-362d364a-10
0.192
MAK-UNK-b2c98f02-3
0.192
ZAC-WAB-3baddbb3-1
0.191
ZAC-WAB-d55a3c2e-2
0.191
CLI-TLC-0b41e95c-1
0.191
MAR-TRE-fd17a9b8-59
0.190
BEN-VAN-d2b455e2-19
0.190
MAK-UNK-b2c98f02-8
0.190
MAK-UNK-b2c98f02-5
0.190
MAR-TRE-9d18ae8c-93
0.189
TRY-UNI-714a760b-13
0.189
MAR-TRE-92684b97-57
0.188
JUA-UNI-a9dfaed1-1
0.188
DAR-DIA-2b784ede-31
0.188
MIC-UNK-25b9c114-1
0.188
DAV-IMP-59dd6621-4
0.188
ASH-UNK-40b46b30-13
0.188
DAR-DIA-1d7f034a-1
0.187
MAR-UCB-ad2ff052-3
0.187
MIC-UNK-25b9c114-2
0.187
JUA-UNI-a9dfaed1-4
0.186
ERI-UCB-fbdd3ea1-25
0.186
KUS-THE-322b9b63-19
0.185
NIM-UNI-310206f0-34
0.185
DAV-IMP-59dd6621-13
0.185
BEN-BAS-2a7c309d-1
0.185
SAD-SAT-cefd50cc-4
0.185
MAT-POS-53907a1c-2
0.185
ERI-UCB-fbdd3ea1-8
0.185
SID-ELM-2583a2cd-16
0.184
NIM-UNI-bb9030bf-10
0.184
YOI-UNK-a3b34759-1
0.183
YOI-UNK-54141b3d-1
0.183