Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1c[nH]c3ncccc13)CCC2 |
MW: | 384.461 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 109.15 |
cLogP: | 1.7278 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TAM-UNI-c140e31a-5
0.817
TAM-UNI-c140e31a-4
0.606
TAM-UNI-c140e31a-9
0.606
TAM-UNI-c140e31a-18
0.594
TAM-UNI-c140e31a-17
0.577
AAR-POS-d2a4d1df-20
0.506
PET-SGC-fc67af9f-1
0.505
NIC-BIO-25446079-2
0.500
ASH-UNK-40b46b30-18
0.500
ASH-UNK-40b46b30-14
0.495
IND-SYN-3aa4e743-1
0.489
IND-SYN-6c8299e8-5
0.489
SWA-SYN-6423ea73-4
0.480
SWA-SYN-d2e6fa14-4
0.480
SAD-SAT-f25ee457-5
0.473
NIC-BIO-25446079-4
0.473
SAD-SAT-f25ee457-6
0.462
MAR-TRE-3159af1a-37
0.454
MAR-TRE-3159af1a-90
0.454
MAR-TRE-3159af1a-16
0.448
MAR-TRE-3159af1a-70
0.447
NIC-BIO-29f4a211-1
0.442
SWA-SYN-d2e6fa14-9
0.440
SWA-SYN-6423ea73-10
0.440
TAM-UNI-c140e31a-1
0.431
NIC-BIO-ec630548-1
0.429
MAR-TRE-3159af1a-40
0.424
NIC-BIO-ec630548-4
0.420
NIC-BIO-29f4a211-2
0.414
NIC-BIO-ec630548-2
0.410
SAD-SAT-f25ee457-10
0.406
NAU-LAT-42d4957e-5
0.405
MAK-UNK-de8f6d00-2
0.405
MAR-TRE-3159af1a-66
0.402
NIC-BIO-ec630548-3
0.402
NIC-BIO-96ee2ca4-1
0.400
MAK-UNK-de8f6d00-3
0.400
MAK-UNK-de8f6d00-8
0.400
MAK-UNK-de8f6d00-5
0.398
MAK-UNK-de8f6d00-1
0.396
NIC-BIO-25446079-3
0.392
MAK-UNK-de8f6d00-7
0.389
GAB-FRA-261eb2a6-1
0.387
NIC-BIO-f814dd3d-1
0.380
MAK-UNK-10572812-9
0.379
MAR-TRE-3159af1a-8
0.379
MAR-TRE-3159af1a-2
0.376
NIC-BIO-25446079-1
0.375
TAM-UNI-c140e31a-7
0.375
MAK-UNK-10572812-2
0.375
MAK-UNK-10572812-12
0.373
MAK-UNK-de8f6d00-6
0.371
NIC-BIO-96ee2ca4-2
0.368
MAK-UNK-b1917cc8-5
0.368
MAR-TRE-3159af1a-33
0.367
MAK-UNK-10572812-8
0.367
MAK-UNK-10572812-13
0.367
KAL-WAB-eb347ebe-1
0.362
MAK-UNK-10572812-1
0.361
MAK-UNK-10572812-10
0.361
TRY-UNI-1fd04853-9
0.360
MAK-UNK-10572812-11
0.358
MAR-TRE-3159af1a-9
0.354
DAR-DIA-23aa0b97-12
0.354
TRY-UNI-1fd04853-8
0.354
MAR-TRE-3159af1a-41
0.353
RED-RED-10c9212c-49
0.353
ZAC-WAB-2baeb60f-1
0.352
ZAC-WAB-d55a3c2e-1
0.352
MAR-UCB-195bc32d-13
0.352
TRY-UNI-1fd04853-7
0.351
ANT-DIA-3c79be55-1
0.350
TRY-UNI-1fd04853-5
0.350
MAK-UNK-10572812-7
0.349
TAM-UNI-c140e31a-13
0.343
DAR-DIA-23aa0b97-1
0.340
TRY-UNI-1fd04853-6
0.340
MAR-TRE-3159af1a-76
0.340
TRY-UNI-1fd04853-11
0.337
MAR-TRE-3159af1a-84
0.336
ANT-DIA-3c79be55-3
0.333
TRY-UNI-1fd04853-10
0.333
SID-UNK-90efdc9b-2
0.333
DAR-DIA-23aa0b97-2
0.333
SID-UNK-90efdc9b-1
0.331
MAK-UNK-10572812-6
0.328
TRY-UNI-1fd04853-12
0.327
TAM-UNI-c140e31a-12
0.324
TAM-UNI-c140e31a-6
0.321
STU-CHA-83dacf15-1
0.321
MAK-UNK-90d0606b-6
0.318
MAR-TRE-3159af1a-42
0.318
MAR-TRE-3159af1a-43
0.317
DOU-UNK-b5326f8f-15
0.317
MAR-TRE-3159af1a-1
0.313
JON-UNI-57097b3f-2
0.312
NAU-LAT-81109c57-7
0.310
SID-ELM-1f105489-9
0.310
SID-ELM-1f105489-1
0.310
STU-CHA-83dacf15-3
0.309