Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 |
MW: | 443.13 |
Fraction sp3: | 0.04 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 79.37 |
cLogP: | 4.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9971465483 |
MolPort: | MolPort-002-183-001 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-91
0.566
KEI-TRE-d5e2018a-100
0.566
KEI-TRE-d5e2018a-82
0.483
KEI-TRE-d5e2018a-56
0.478
MAR-TRE-f6f5f473-75
0.455
MAR-TRE-f6f5f473-79
0.449
MAR-TRE-04c86cea-65
0.446
MAR-TRE-2fd8122f-58
0.440
KEI-TRE-d5e2018a-36
0.438
KEI-TRE-d5e2018a-64
0.436
KEI-TRE-d5e2018a-87
0.432
KEI-TRE-d5e2018a-28
0.420
MAR-TRE-f6f5f473-29
0.420
MAR-TRE-4b834d9a-57
0.418
MAR-TRE-2fd8122f-82
0.416
MAR-TRE-2fd8122f-65
0.411
KEI-TRE-d5e2018a-32
0.409
MAR-TRE-3e4e6814-34
0.409
KEI-TRE-d5e2018a-59
0.408
MAR-TRE-04c86cea-90
0.407
WIL-UNI-5578df48-3
0.405
KEI-TRE-d5e2018a-46
0.404
MAR-TRE-2fd8122f-22
0.402
MAR-TRE-2fd8122f-34
0.400
KEI-TRE-d5e2018a-93
0.398
MAR-TRE-4b834d9a-92
0.396
WIL-UNI-5578df48-2
0.395
MAR-TRE-4b834d9a-79
0.394
KEI-TRE-d5e2018a-81
0.391
MAR-TRE-2fd8122f-24
0.383
MAR-TRE-4b834d9a-67
0.381
MAR-TRE-4b834d9a-24
0.380
ASH-UNK-40b46b30-3
0.375
MAR-TRE-f6f5f473-58
0.374
SAN-PRS-52b81272-2
0.372
MAR-TRE-04c86cea-97
0.368
CHR-SOS-7098f804-18
0.367
MAR-TRE-4b834d9a-71
0.366
MAK-UNK-f0bfc2e0-1
0.363
MAR-TRE-3e4e6814-45
0.362
ANT-DIA-3c79be55-4
0.360
KEI-TRE-d5e2018a-86
0.358
EMI-TUK-a58865cc-7
0.356
AAR-POS-d2a4d1df-11
0.355
MAR-TRE-f6f5f473-36
0.354
CHR-SOS-7098f804-12
0.354
MAR-TRE-2fd8122f-98
0.352
EMI-TUK-a58865cc-6
0.352
KEI-TRE-d5e2018a-90
0.349
WIL-UNI-5578df48-1
0.349
EMI-TUK-a58865cc-5
0.348
KEI-TRE-d5e2018a-22
0.347
KEI-TRE-d5e2018a-84
0.347
EMI-TUK-a58865cc-3
0.344
EMI-TUK-a58865cc-1
0.344
KEI-TRE-d5e2018a-88
0.343
MAR-TRE-74c6519b-56
0.343
AUS-ARG-7cfdce8f-11
0.341
KEI-TRE-d5e2018a-95
0.340
MAR-TRE-d0525fbf-92
0.340
CHA-MCP-85291e1d-2
0.337
WIL-UNI-5578df48-4
0.337
MAR-TRE-d0525fbf-55
0.337
CHR-SOS-7098f804-22
0.337
KEI-TRE-d5e2018a-18
0.337
KEI-TRE-d5e2018a-33
0.337
RUT-UNI-630c5802-2
0.333
WIL-UNI-5578df48-8
0.333
MAR-TRE-2fd8122f-71
0.333
KEI-TRE-d5e2018a-70
0.333
EMI-TUK-a58865cc-4
0.333
SAD-SAT-24589cd1-4
0.333
CHR-SOS-7098f804-14
0.333
CHR-SOS-7098f804-19
0.333
MAR-TRE-2fd8122f-41
0.330
KEI-TRE-d5e2018a-75
0.330
MAR-TRE-2fd8122f-5
0.330
MAR-TRE-2fd8122f-31
0.330
MAR-TRE-b77b7921-70
0.330
KEI-TRE-d5e2018a-89
0.330
MAK-UNK-a7b37c5e-4
0.329
MAR-TRE-2fd8122f-85
0.327
MAR-TRE-2fd8122f-76
0.326
ADA-UNI-f8e79267-3
0.326
MAR-TRE-c317dd82-59
0.326
KEI-TRE-d5e2018a-24
0.326
MAK-UNK-10dfa458-31
0.326
CHA-MCP-85291e1d-4
0.326
CHR-SOS-7098f804-13
0.326
WIL-UNI-5578df48-6
0.325
MAK-UNK-a7b37c5e-5
0.325
MAR-TRE-67513f76-81
0.324
RUT-UNI-630c5802-10
0.324
MAR-TRE-2fd8122f-52
0.323
MAR-TRE-04c86cea-46
0.323
MAR-TRE-4b834d9a-16
0.323
KEI-TRE-d5e2018a-7
0.323
KEI-TRE-d5e2018a-43
0.323
KEI-TRE-d5e2018a-92
0.323
ASH-UNK-40b46b30-9
0.323