Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1c[nH]c3ncccc13)CC2 |
MW: | 370.434 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 109.15 |
cLogP: | 1.3377 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TAM-UNI-c140e31a-8
0.817
TAM-UNI-c140e31a-4
0.574
TAM-UNI-c140e31a-17
0.562
TAM-UNI-c140e31a-18
0.562
TAM-UNI-c140e31a-9
0.545
AAR-POS-d2a4d1df-20
0.524
NIC-BIO-25446079-2
0.518
ASH-UNK-40b46b30-18
0.515
IND-SYN-6c8299e8-5
0.506
IND-SYN-3aa4e743-1
0.506
ASH-UNK-40b46b30-14
0.495
PET-SGC-fc67af9f-1
0.491
SAD-SAT-f25ee457-5
0.489
NIC-BIO-25446079-4
0.489
SWA-SYN-d2e6fa14-4
0.479
SWA-SYN-6423ea73-4
0.479
MAR-TRE-3159af1a-90
0.468
SAD-SAT-f25ee457-6
0.462
NIC-BIO-ec630548-1
0.457
MAR-TRE-3159af1a-37
0.453
NIC-BIO-29f4a211-2
0.442
NIC-BIO-29f4a211-1
0.441
SWA-SYN-6423ea73-10
0.439
SWA-SYN-d2e6fa14-9
0.439
MAR-TRE-3159af1a-40
0.438
NIC-BIO-ec630548-4
0.433
MAR-TRE-3159af1a-16
0.433
MAR-TRE-3159af1a-70
0.431
NIC-BIO-96ee2ca4-1
0.426
NIC-BIO-ec630548-2
0.423
SAD-SAT-f25ee457-10
0.417
MAK-UNK-de8f6d00-2
0.417
MAR-TRE-3159af1a-66
0.414
TAM-UNI-c140e31a-7
0.414
NIC-BIO-ec630548-3
0.414
GAB-FRA-261eb2a6-1
0.411
MAK-UNK-de8f6d00-3
0.411
MAK-UNK-de8f6d00-8
0.411
MAK-UNK-de8f6d00-5
0.409
MAK-UNK-de8f6d00-1
0.407
NIC-BIO-25446079-3
0.404
NIC-BIO-f814dd3d-1
0.404
MAK-UNK-de8f6d00-7
0.400
NIC-BIO-96ee2ca4-2
0.391
MAK-UNK-10572812-9
0.389
NIC-BIO-25446079-1
0.387
MAR-TRE-3159af1a-2
0.387
MAK-UNK-10572812-2
0.385
MAK-UNK-10572812-12
0.383
MAK-UNK-de8f6d00-6
0.381
MAR-TRE-3159af1a-33
0.379
NAU-LAT-42d4957e-5
0.378
MAK-UNK-10572812-13
0.376
MAK-UNK-10572812-8
0.376
TAM-UNI-c140e31a-1
0.375
KAL-WAB-eb347ebe-1
0.374
TRY-UNI-1fd04853-9
0.371
MAK-UNK-10572812-1
0.370
MAK-UNK-10572812-10
0.370
MAK-UNK-10572812-11
0.368
TAM-UNI-c140e31a-13
0.366
MAR-TRE-3159af1a-9
0.366
MAK-UNK-b1917cc8-5
0.366
TRY-UNI-1fd04853-8
0.365
DAR-DIA-23aa0b97-12
0.365
MAR-UCB-195bc32d-13
0.364
TRY-UNI-1fd04853-7
0.362
MAR-TRE-3159af1a-8
0.362
ANT-DIA-3c79be55-1
0.361
TRY-UNI-1fd04853-5
0.361
MAK-UNK-10572812-7
0.358
STU-CHA-83dacf15-1
0.356
MAK-UNK-90d0606b-6
0.352
MAR-TRE-3159af1a-41
0.350
MAR-TRE-3159af1a-76
0.350
TRY-UNI-1fd04853-6
0.350
DAR-DIA-23aa0b97-1
0.350
ZAC-WAB-d55a3c2e-1
0.349
ZAC-WAB-2baeb60f-1
0.349
TRY-UNI-1fd04853-11
0.347
TRY-UNI-1fd04853-10
0.343
DAR-DIA-23aa0b97-2
0.343
ANT-DIA-3c79be55-3
0.343
STU-CHA-83dacf15-3
0.343
STU-CHA-83dacf15-2
0.340
SID-UNK-90efdc9b-1
0.338
RED-RED-10c9212c-49
0.337
TRY-UNI-1fd04853-12
0.337
MAK-UNK-10572812-6
0.336
MAR-TRE-3159af1a-84
0.333
SID-ELM-1f105489-9
0.333
MAR-TRE-3159af1a-42
0.327
MAR-TRE-3159af1a-43
0.327
DOU-UNK-b5326f8f-15
0.325
MAR-TRE-3159af1a-1
0.321
SID-UNK-90efdc9b-2
0.321
SID-ELM-1f105489-1
0.320
NAU-LAT-81109c57-7
0.319
MAR-TRE-3159af1a-35
0.318
MAR-TRE-3159af1a-21
0.316