Molecular Properties | |
SMILES: | CC1CN2Cc3ccc(S(N)(=O)=O)c(c32)N1C(=O)Cc1c[nH]c2ncccc12 |
MW: | 397.12 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 112.39 |
cLogP: | 1.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
AAR-POS-d2a4d1df-8
NIC-BIO-29f4a211-1
0.474
TAM-UNI-c140e31a-8
0.462
TAM-UNI-c140e31a-5
0.462
NIC-BIO-ec630548-1
0.444
AAR-POS-d2a4d1df-20
0.441
IND-SYN-3aa4e743-1
0.441
IND-SYN-6c8299e8-5
0.441
MAR-TRE-3159af1a-37
0.440
MAR-TRE-3159af1a-40
0.440
NIC-BIO-ec630548-2
0.440
TAM-UNI-c140e31a-4
0.439
NIC-BIO-25446079-2
0.436
NIC-BIO-ec630548-4
0.436
TAM-UNI-c140e31a-17
0.431
NIC-BIO-29f4a211-2
0.430
ASH-UNK-40b46b30-18
0.430
ASH-UNK-40b46b30-14
0.429
SAD-SAT-f25ee457-5
0.429
NIC-BIO-25446079-4
0.427
MAR-TRE-3159af1a-90
0.426
TAM-UNI-c140e31a-18
0.418
NIC-BIO-ec630548-3
0.417
NIC-BIO-96ee2ca4-1
0.415
SAD-SAT-f25ee457-10
0.407
NIC-BIO-f814dd3d-1
0.407
GAB-FRA-261eb2a6-1
0.402
SWA-SYN-6423ea73-4
0.396
SWA-SYN-d2e6fa14-4
0.396
NIC-BIO-25446079-3
0.394
MAR-TRE-3159af1a-2
0.391
MAR-TRE-3159af1a-66
0.390
SWA-SYN-6423ea73-10
0.387
SWA-SYN-d2e6fa14-9
0.387
MAR-TRE-3159af1a-16
0.384
NIC-BIO-96ee2ca4-2
0.383
MAR-TRE-3159af1a-70
0.382
ZAC-WAB-2baeb60f-1
0.380
ZAC-WAB-d55a3c2e-1
0.380
NIC-BIO-25446079-1
0.378
MAK-UNK-b1917cc8-5
0.371
MAK-UNK-de8f6d00-7
0.368
MAR-TRE-3159af1a-8
0.367
MAR-TRE-3159af1a-84
0.364
MAK-UNK-de8f6d00-2
0.359
MAR-TRE-3159af1a-9
0.357
PET-SGC-fc67af9f-1
0.355
TRY-UNI-1fd04853-7
0.354
MAK-UNK-de8f6d00-3
0.353
MAK-UNK-de8f6d00-8
0.353
ANT-DIA-3c79be55-1
0.353
MAK-UNK-de8f6d00-5
0.353
KAL-WAB-eb347ebe-1
0.351
MAR-TRE-3159af1a-33
0.343
MAR-TRE-3159af1a-74
0.343
DAR-DIA-23aa0b97-12
0.343
TRY-UNI-1fd04853-8
0.343
MAR-TRE-3159af1a-41
0.343
ZAC-WAB-86e8bacf-1
0.342
MAK-UNK-10572812-12
0.341
MAK-UNK-10572812-6
0.341
MAR-UCB-195bc32d-13
0.340
TRY-UNI-1fd04853-5
0.340
TRY-UNI-1fd04853-11
0.340
MAK-UNK-de8f6d00-1
0.339
TAM-UNI-c140e31a-9
0.339
MAK-UNK-10572812-11
0.339
TRY-UNI-1fd04853-9
0.337
MAR-TRE-3159af1a-24
0.333
MAK-UNK-10572812-7
0.331
MAK-UNK-10572812-1
0.331
RED-RED-10c9212c-49
0.330
MAR-TRE-3159af1a-76
0.330
DAR-DIA-23aa0b97-1
0.330
MAK-UNK-de8f6d00-6
0.328
MAR-TRE-3159af1a-99
0.328
MAK-UNK-10572812-13
0.325
ANT-DIA-3c79be55-3
0.324
DAR-DIA-23aa0b97-2
0.324
SID-UNK-90efdc9b-1
0.324
MAK-UNK-10572812-2
0.323
MAR-TRE-3159af1a-44
0.322
MAK-UNK-10572812-10
0.320
TRY-UNI-1fd04853-6
0.318
TRY-UNI-1fd04853-12
0.318
MAR-TRE-3159af1a-1
0.316
MAR-TRE-3159af1a-75
0.316
NIC-BIO-3276ca7f-5
0.315
MAK-UNK-10572812-8
0.315
MAK-UNK-10572812-9
0.315
MAR-TRE-3159af1a-35
0.312
TRY-UNI-1fd04853-10
0.312
NIC-BIO-3276ca7f-1
0.312
NIC-BIO-3276ca7f-4
0.312
SHR-UNK-cde60afe-1
0.311
MAR-TRE-3159af1a-21
0.311
DOU-UNK-b5326f8f-15
0.310
MAR-TRE-3159af1a-42
0.309
MAR-TRE-3159af1a-43
0.308
NIC-BIO-3276ca7f-6
0.307
MAR-TRE-3159af1a-78
0.306