Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)CN(CC(=O)NCc1c[nH]c3ncccc13)CCC2 |
MW: | 413.503 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 121.18 |
cLogP: | 1.2749 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TAM-UNI-c140e31a-8
0.606
TAM-UNI-c140e31a-1
0.577
TAM-UNI-c140e31a-5
0.545
PET-SGC-fc67af9f-1
0.487
TAM-UNI-c140e31a-4
0.477
TAM-UNI-c140e31a-18
0.468
TAM-UNI-c140e31a-7
0.456
TAM-UNI-c140e31a-17
0.455
TAM-UNI-c140e31a-13
0.396
NAU-LAT-42d4957e-5
0.393
ASH-UNK-40b46b30-18
0.389
ASH-UNK-40b46b30-14
0.367
AAR-POS-d2a4d1df-20
0.366
NIC-BIO-25446079-2
0.363
IND-SYN-3aa4e743-1
0.353
IND-SYN-6c8299e8-5
0.353
NIC-BIO-25446079-3
0.352
MAR-TRE-3159af1a-37
0.345
NIC-BIO-25446079-4
0.343
MAR-TRE-3159af1a-41
0.343
MAR-UCB-195bc32d-13
0.340
MAR-TRE-3159af1a-8
0.340
TAM-UNI-c140e31a-12
0.339
SAD-SAT-f25ee457-6
0.339
KAL-WAB-eb347ebe-1
0.337
STU-CHA-83dacf15-1
0.336
NIC-BIO-29f4a211-2
0.336
NIC-BIO-ec630548-1
0.336
TAM-UNI-c140e31a-6
0.336
SWA-SYN-d2e6fa14-9
0.336
SWA-SYN-6423ea73-10
0.336
MAK-UNK-10572812-8
0.336
SID-UNK-90efdc9b-2
0.336
SWA-SYN-d2e6fa14-4
0.333
MAR-TRE-3159af1a-44
0.333
MAR-TRE-3159af1a-70
0.333
SWA-SYN-6423ea73-4
0.333
NIC-BIO-ec630548-4
0.330
MAR-TRE-3159af1a-33
0.330
MAR-TRE-3159af1a-99
0.328
MAR-TRE-3159af1a-84
0.327
TRY-UNI-1fd04853-5
0.327
TRY-UNI-1fd04853-7
0.327
NAU-LAT-81109c57-7
0.325
TAM-UNI-c140e31a-14
0.325
NIC-BIO-3276ca7f-4
0.324
TRY-UNI-1fd04853-9
0.324
NIC-BIO-25446079-1
0.324
SID-UNK-90efdc9b-1
0.324
NIC-BIO-f814dd3d-1
0.322
MAK-UNK-90d0606b-6
0.322
MAR-TRE-3159af1a-90
0.321
MAR-TRE-3159af1a-40
0.321
SAD-SAT-f25ee457-5
0.321
NIC-BIO-29f4a211-1
0.321
MAK-UNK-de8f6d00-5
0.320
GAB-FRA-261eb2a6-1
0.320
MAR-TRE-3159af1a-20
0.319
MAR-TRE-3159af1a-76
0.318
TRY-UNI-1fd04853-12
0.318
TRY-UNI-1fd04853-6
0.318
TRY-UNI-1fd04853-8
0.318
DAR-DIA-23aa0b97-12
0.318
MAK-UNK-b1917cc8-5
0.317
MAR-TRE-3159af1a-9
0.317
MAR-TRE-3159af1a-1
0.317
MAR-TRE-3159af1a-75
0.317
PET-SGC-59809fea-1
0.317
NIC-BIO-96ee2ca4-1
0.316
MAR-TRE-3159af1a-66
0.316
ANT-DIA-3c79be55-1
0.315
TRY-UNI-1fd04853-11
0.315
MAK-UNK-de8f6d00-2
0.315
MAR-TRE-3159af1a-16
0.314
STU-CHA-83dacf15-3
0.313
DAR-DIA-23aa0b97-2
0.312
TRY-UNI-1fd04853-10
0.312
MAK-UNK-de8f6d00-7
0.312
MAR-TRE-3159af1a-21
0.311
MAR-TRE-3159af1a-24
0.311
DOU-UNK-b5326f8f-15
0.310
MAK-UNK-10572812-12
0.310
STU-CHA-83dacf15-2
0.310
NIC-BIO-ec630548-2
0.310
MAK-UNK-de8f6d00-3
0.309
MAK-UNK-de8f6d00-8
0.309
ZAC-WAB-d55a3c2e-1
0.308
ZAC-WAB-2baeb60f-1
0.308
MAK-UNK-de8f6d00-1
0.306
RED-RED-10c9212c-49
0.306
DAR-DIA-23aa0b97-1
0.306
MAK-UNK-10572812-9
0.305
NIC-BIO-3276ca7f-5
0.304
NIC-BIO-ec630548-3
0.304
NIC-BIO-96ee2ca4-2
0.304
ANT-DIA-3c79be55-3
0.302
MAK-UNK-10572812-10
0.301
SAD-SAT-f25ee457-10
0.300
MAR-TRE-3159af1a-2
0.298
ZAC-WAB-86e8bacf-1
0.298