Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)N(CCNC(=O)Cc1c[nH]c3ncccc13)CCC2 |
MW: | 413.503 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 121.18 |
cLogP: | 1.3218 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
NAU-LAT-42d4957e-5
0.602
TAM-UNI-c140e31a-4
0.600
TAM-UNI-c140e31a-17
0.558
PET-SGC-59809fea-1
0.553
PET-SGC-616b7348-1
0.505
TAM-UNI-c140e31a-8
0.505
TAM-UNI-c140e31a-5
0.491
TAM-UNI-c140e31a-9
0.487
ASH-UNK-40b46b30-18
0.486
DUN-NEW-f8ce3686-14
0.474
TAM-UNI-c140e31a-18
0.473
TAM-UNI-c140e31a-6
0.471
PET-SGC-6a1b02a9-1
0.458
MAK-UNK-0b1cbb06-3
0.451
PET-SGC-05cff2e1-1
0.441
PET-SGC-abcbce68-1
0.439
ASH-UNK-40b46b30-14
0.431
MAK-UNK-0b1cbb06-4
0.422
PET-SGC-908c18f3-1
0.422
PAU-UNI-2d648ace-1
0.417
AAR-POS-d2a4d1df-20
0.414
PET-SGC-f913cec9-1
0.413
NIC-BIO-25446079-3
0.412
TRY-UNI-1fd04853-5
0.412
PET-SGC-c4a91520-1
0.410
TRY-UNI-1fd04853-9
0.408
TRY-UNI-1fd04853-10
0.406
MAK-UNK-10799360-30
0.404
TRY-UNI-1fd04853-7
0.400
MAR-TRE-3159af1a-41
0.400
NAU-LAT-42d4957e-2
0.393
PET-SGC-f913cec9-2
0.392
TRY-UNI-1fd04853-8
0.388
TRY-UNI-1fd04853-6
0.387
MAR-TRE-3159af1a-8
0.386
PAU-UNI-f4334617-1
0.385
TRY-UNI-1fd04853-11
0.385
NIC-BIO-25446079-2
0.382
MAK-UNK-0b1cbb06-2
0.376
DAR-DIA-23aa0b97-12
0.375
MAR-TRE-3159af1a-70
0.374
TRY-UNI-1fd04853-12
0.374
IND-SYN-6c8299e8-5
0.373
IND-SYN-3aa4e743-1
0.373
NAU-LAT-42d4957e-4
0.371
KAL-WAB-eb347ebe-1
0.370
MAK-UNK-10799360-15
0.370
NIC-BIO-25446079-1
0.369
NIC-BIO-ec630548-1
0.367
SAD-SAT-f25ee457-5
0.364
MAR-TRE-3159af1a-9
0.363
NIC-BIO-25446079-4
0.362
MAR-TRE-3159af1a-33
0.362
MAR-TRE-3159af1a-2
0.359
ANT-DIA-3c79be55-1
0.358
TAM-UNI-c140e31a-12
0.357
PET-SGC-210d4c30-1
0.357
NIC-BIO-96ee2ca4-1
0.357
SAD-SAT-f25ee457-6
0.355
NIC-BIO-29f4a211-2
0.355
SWA-SYN-6423ea73-10
0.354
SWA-SYN-d2e6fa14-9
0.354
NAU-LAT-81109c57-7
0.353
NIC-BIO-29f4a211-1
0.352
MAR-TRE-3159af1a-37
0.351
SWA-SYN-d2e6fa14-4
0.351
SWA-SYN-6423ea73-4
0.351
MAK-UNK-9a6be56d-2
0.351
DAR-DIA-23aa0b97-1
0.349
MAR-TRE-3159af1a-76
0.349
NIC-BIO-ec630548-4
0.348
ZAC-WAB-d55a3c2e-1
0.348
ZAC-WAB-2baeb60f-1
0.348
GAB-FRA-261eb2a6-1
0.347
MAR-UCB-195bc32d-13
0.347
NIC-BIO-ec630548-3
0.345
WIL-WAB-1289c0dd-2
0.344
DAR-DIA-23aa0b97-2
0.342
MAR-TRE-3159af1a-40
0.339
MAR-TRE-3159af1a-90
0.339
NIC-BIO-ec630548-2
0.339
JAR-IMP-ed466bb3-6
0.339
AAR-POS-d2a4d1df-4
0.337
MAR-TRE-3159af1a-84
0.333
MAK-UNK-10572812-8
0.331
NIC-BIO-96ee2ca4-2
0.331
MAR-TRE-3159af1a-16
0.331
TAM-UNI-c140e31a-14
0.330
ANT-DIA-3c79be55-3
0.330
DAR-DIA-37454fd7-3
0.328
NIC-BIO-f814dd3d-1
0.328
MAK-UNK-10572812-7
0.326
MAK-UNK-10572812-12
0.326
RED-RED-10c9212c-49
0.324
MAK-UNK-b1917cc8-5
0.324
MAK-UNK-9a6be56d-1
0.324
MAR-TRE-3159af1a-1
0.322
MAR-TRE-3159af1a-75
0.322
MAR-TRE-3159af1a-66
0.322
SID-UNK-90efdc9b-2
0.322