Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)N(CCNC(=O)Nc1cccnc1)CCC2 |
MW: | 375.454 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 117.42 |
cLogP: | 1.3033 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
TAM-UNI-c140e31a-6
0.644
PET-SGC-616b7348-1
0.562
PET-SGC-fc67af9f-1
0.553
DUN-NEW-f8ce3686-14
0.529
MAK-UNK-0b1cbb06-3
0.506
PET-SGC-05cff2e1-1
0.500
TAM-UNI-c140e31a-12
0.495
PET-SGC-6a1b02a9-1
0.494
NAU-LAT-42d4957e-5
0.490
PET-SGC-abcbce68-1
0.489
PET-SGC-908c18f3-1
0.467
TAM-UNI-c140e31a-14
0.459
MAK-UNK-0b1cbb06-4
0.457
SAD-SAT-135344c3-10
0.452
PAU-UNI-2d648ace-1
0.444
PET-SGC-c4a91520-1
0.438
PET-SGC-f913cec9-1
0.438
TAM-UNI-c140e31a-1
0.436
MAK-UNK-10799360-30
0.429
MAK-UNK-0b1cbb06-2
0.429
PET-SGC-f913cec9-2
0.426
PAU-UNI-f4334617-1
0.421
ALE-HEI-f28a35b5-15
0.420
NAU-LAT-42d4957e-2
0.417
MAK-UNK-10799360-15
0.417
TAM-UNI-c140e31a-13
0.414
TAM-UNI-c140e31a-7
0.406
PET-SGC-210d4c30-1
0.400
NAU-LAT-42d4957e-4
0.396
MAK-UNK-9a6be56d-2
0.390
TAM-UNI-c140e31a-4
0.389
SAD-SAT-135344c3-2
0.388
MAK-UNK-9a6be56d-1
0.382
SAD-SAT-f25ee457-7
0.380
SAD-SAT-f25ee457-8
0.379
MAR-TRE-2fd8122f-37
0.379
AAR-POS-d2a4d1df-4
0.376
MAK-UNK-009ebe36-1
0.371
CHR-SOS-e960e883-3
0.370
MAR-TRE-2fd8122f-78
0.370
SAD-SAT-135344c3-3
0.366
WIL-WAB-1289c0dd-2
0.363
CHR-SOS-e960e883-2
0.363
MAK-UNK-009ebe36-7
0.362
MAK-UNK-d1e89583-8
0.362
NAU-LAT-42d4957e-3
0.361
TAM-UNI-c140e31a-17
0.357
JAR-IMP-ed466bb3-6
0.357
MAK-UNK-d1e89583-1
0.356
CHR-SOS-e960e883-1
0.356
DAR-DIA-37454fd7-1
0.353
MAK-UNK-009ebe36-2
0.353
MAK-UNK-009ebe36-3
0.353
SAD-SAT-135344c3-6
0.350
CHA-MCP-85291e1d-2
0.347
DAR-DIA-37454fd7-2
0.344
DAR-DIA-37454fd7-3
0.344
SAD-SAT-135344c3-9
0.343
SAD-SAT-135344c3-4
0.340
MAK-UNK-009ebe36-5
0.340
CHA-MCP-85291e1d-4
0.337
SAD-SAT-135344c3-5
0.337
SAD-SAT-135344c3-7
0.333
PET-SGC-481b48b7-1
0.333
SAD-SAT-689b7d5a-4
0.333
MAK-UNK-9a6be56d-10
0.333
MAK-UNK-9a6be56d-24
0.333
CHR-SOS-70e4c98a-9
0.333
MAK-UNK-9a6be56d-9
0.331
SAD-SAT-135344c3-1
0.330
MAR-TRE-2fd8122f-59
0.330
MAK-UNK-d1e89583-5
0.330
MAK-UNK-9a6be56d-11
0.328
MAK-UNK-9a6be56d-22
0.328
MAK-UNK-9a6be56d-23
0.328
MAR-TRE-b77b7921-81
0.328
CHR-SOS-363cfb78-5
0.327
CHR-SOS-70e4c98a-4
0.327
MAK-UNK-009ebe36-4
0.327
CHR-SOS-70e4c98a-7
0.327
CHR-SOS-70e4c98a-11
0.327
MAK-UNK-d1e89583-3
0.326
DAR-DIA-842b4336-2
0.326
MAK-UNK-9a6be56d-14
0.326
CHR-SOS-7098f804-15
0.324
ALE-MCD-4ac17b19-1
0.324
MAK-UNK-9a6be56d-21
0.323
MAK-UNK-d1e89583-9
0.323
MAK-UNK-9a6be56d-12
0.323
MAR-TRE-3e4e6814-80
0.322
CHR-SOS-70e4c98a-12
0.321
CHR-SOS-70e4c98a-2
0.321
ALE-HEI-f28a35b5-8
0.319
KEI-TRE-d5e2018a-79
0.318
MAR-TRE-d0525fbf-14
0.318
EMI-TUK-a58865cc-2
0.317
TAM-UNI-c140e31a-9
0.317
MAR-TRE-9c797165-52
0.316
WIL-UNI-5578df48-14
0.316
MAK-UNK-d1e89583-6
0.316