Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1c[nH]c3ncccc13)CCCC2 |
MW: | 384.461 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 109.15 |
cLogP: | 2.1223 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
TAM-UNI-c140e31a-4
0.877
TAM-UNI-c140e31a-18
0.750
ASH-UNK-40b46b30-18
0.624
ASH-UNK-40b46b30-14
0.580
TAM-UNI-c140e31a-8
0.577
TAM-UNI-c140e31a-5
0.562
PET-SGC-fc67af9f-1
0.558
AAR-POS-d2a4d1df-20
0.483
NIC-BIO-25446079-2
0.462
TAM-UNI-c140e31a-9
0.455
NAU-LAT-42d4957e-5
0.454
NIC-BIO-25446079-4
0.452
IND-SYN-6c8299e8-5
0.451
IND-SYN-3aa4e743-1
0.451
SAD-SAT-f25ee457-6
0.431
SAD-SAT-f25ee457-5
0.423
MAR-TRE-3159af1a-37
0.420
SWA-SYN-d2e6fa14-4
0.417
SWA-SYN-6423ea73-4
0.417
MAR-TRE-3159af1a-70
0.415
NIC-BIO-ec630548-1
0.410
NIC-BIO-96ee2ca4-1
0.410
NIC-BIO-29f4a211-1
0.408
SWA-SYN-6423ea73-10
0.408
SWA-SYN-d2e6fa14-9
0.408
MAR-TRE-3159af1a-90
0.406
NIC-BIO-ec630548-4
0.402
NIC-BIO-29f4a211-2
0.396
MAR-TRE-3159af1a-40
0.392
NIC-BIO-ec630548-2
0.392
MAR-TRE-3159af1a-16
0.391
TRY-UNI-1fd04853-7
0.389
MAK-UNK-de8f6d00-2
0.389
NIC-BIO-25446079-3
0.388
MAR-TRE-3159af1a-66
0.385
NIC-BIO-ec630548-3
0.385
TRY-UNI-1fd04853-9
0.384
MAK-UNK-de8f6d00-5
0.383
TAM-UNI-c140e31a-6
0.381
MAK-UNK-de8f6d00-1
0.381
TRY-UNI-1fd04853-8
0.378
MAR-TRE-3159af1a-33
0.378
DAR-DIA-23aa0b97-12
0.378
NIC-BIO-96ee2ca4-2
0.377
MAK-UNK-de8f6d00-7
0.374
TRY-UNI-1fd04853-5
0.374
KAL-WAB-eb347ebe-1
0.372
GAB-FRA-261eb2a6-1
0.372
MAK-UNK-de8f6d00-3
0.372
MAK-UNK-de8f6d00-8
0.372
NIC-BIO-25446079-1
0.371
MAK-UNK-10572812-12
0.370
MAK-UNK-de8f6d00-6
0.368
NAU-LAT-42d4957e-3
0.367
MAK-UNK-b1917cc8-5
0.365
SAD-SAT-f25ee457-10
0.364
NIC-BIO-f814dd3d-1
0.364
ZAC-WAB-d55a3c2e-1
0.361
ZAC-WAB-2baeb60f-1
0.361
MAR-TRE-3159af1a-8
0.361
MAR-TRE-3159af1a-2
0.360
ANT-DIA-3c79be55-1
0.360
TRY-UNI-1fd04853-11
0.360
PET-SGC-59809fea-1
0.357
TRY-UNI-1fd04853-10
0.356
MAK-UNK-10572812-9
0.353
MAK-UNK-10572812-13
0.352
SID-UNK-90efdc9b-2
0.351
MAR-TRE-3159af1a-9
0.351
MAR-TRE-3159af1a-41
0.350
TRY-UNI-1fd04853-6
0.350
DAR-DIA-23aa0b97-1
0.350
MAR-UCB-195bc32d-13
0.348
MAK-UNK-10572812-1
0.347
DAR-DIA-23aa0b97-2
0.343
TAM-UNI-c140e31a-14
0.343
MAK-UNK-10572812-8
0.341
MAK-UNK-10572812-2
0.339
SID-UNK-90efdc9b-1
0.338
MAR-TRE-3159af1a-76
0.337
TRY-UNI-1fd04853-12
0.337
MAK-UNK-10572812-10
0.336
MAK-UNK-10572812-11
0.333
MAK-UNK-0b1cbb06-4
0.333
MAR-TRE-3159af1a-84
0.333
ANT-DIA-3c79be55-3
0.330
MAK-UNK-10572812-7
0.326
RED-RED-10c9212c-49
0.324
PET-SGC-6a1b02a9-1
0.320
PET-SGC-f913cec9-2
0.317
SHR-UNK-cde60afe-1
0.317
MAK-UNK-10572812-6
0.315
TAM-UNI-c140e31a-13
0.315
ZAC-WAB-86e8bacf-1
0.313
TAM-UNI-c140e31a-1
0.312
MAR-TRE-3159af1a-1
0.310
MAR-TRE-3159af1a-99
0.310
PET-SGC-05cff2e1-1
0.310
JON-UNI-57097b3f-2
0.309
TAM-UNI-c140e31a-12
0.309