Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 |
MW: | 353.08 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.16 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6204350589 |
MolPort: | MolPort-004-946-193 |
Hetero_hetero
MAR-TRE-f6f5f473-29
1.000
MAR-TRE-2fd8122f-71
0.642
KEI-TRE-d5e2018a-22
0.532
CHR-SOS-7098f804-12
0.507
KEI-TRE-d5e2018a-86
0.470
MAR-TRE-2fd8122f-82
0.451
MAR-TRE-04c86cea-65
0.448
MAR-TRE-2fd8122f-85
0.447
MAR-TRE-2fd8122f-52
0.442
MAR-TRE-2fd8122f-84
0.437
KEI-TRE-d5e2018a-70
0.437
MAR-TRE-2fd8122f-24
0.430
MAR-TRE-2fd8122f-65
0.429
MAR-TRE-3e4e6814-45
0.424
KEI-TRE-d5e2018a-71
0.420
KEI-TRE-d5e2018a-90
0.419
MAR-TRE-2fd8122f-34
0.417
CHR-SOS-7098f804-18
0.398
MAR-TRE-2fd8122f-70
0.396
AAR-POS-d2a4d1df-11
0.391
MAR-TRE-f6f5f473-75
0.391
MAR-TRE-2fd8122f-58
0.390
MAR-TRE-f6f5f473-79
0.386
MAR-TRE-2fd8122f-40
0.381
MAR-TRE-3e4e6814-34
0.376
MAR-TRE-2fd8122f-2
0.376
KEI-TRE-d5e2018a-32
0.376
CHR-SOS-7098f804-22
0.376
KEI-TRE-d5e2018a-82
0.374
MAR-TRE-66ac689e-25
0.372
SAN-PRS-52b81272-2
0.370
SAN-PRS-52b81272-3
0.370
MAK-UNK-129dcd6f-9
0.368
MAR-TRE-2fd8122f-76
0.368
CHA-MCP-85291e1d-2
0.366
BEN-DND-031a96cc-8
0.365
MAR-TRE-2fd8122f-11
0.365
CHR-SOS-7098f804-14
0.361
CHR-SOS-7098f804-8
0.361
MAR-TRE-66ac689e-76
0.360
MAK-UNK-10dfa458-24
0.360
CHR-SOS-7098f804-19
0.359
ANT-DIA-3c79be55-4
0.358
EMI-TUK-a58865cc-3
0.357
WIL-UNI-5578df48-2
0.356
KEI-TRE-d5e2018a-58
0.356
MAR-TRE-4b834d9a-43
0.356
MAR-TRE-2fd8122f-22
0.356
MAR-TRE-2fd8122f-31
0.356
MAR-TRE-b77b7921-70
0.356
KEI-TRE-d5e2018a-56
0.355
SAD-SAT-f25ee457-8
0.353
MAR-TRE-2fd8122f-37
0.353
CHR-SOS-7098f804-13
0.353
WIL-UNI-5578df48-28
0.353
KEI-TRE-d5e2018a-100
0.352
KEI-TRE-d5e2018a-83
0.351
MAR-TRE-fd17a9b8-56
0.351
MAR-TRE-04c86cea-97
0.349
WIL-UNI-5578df48-26
0.349
MAR-TRE-04c86cea-46
0.348
ERI-BAS-962ecb40-1
0.347
CHA-MCP-85291e1d-5
0.345
CHR-SOS-59746812-1
0.345
KEI-TRE-d5e2018a-36
0.344
MAR-TRE-2fd8122f-95
0.344
WIL-UNI-5578df48-21
0.342
CHR-SOS-59746812-5
0.341
MAR-TRE-fd17a9b8-52
0.341
ASH-UNK-40b46b30-3
0.341
CHR-SOS-7098f804-16
0.341
EMI-TUK-a58865cc-1
0.341
MAR-TRE-4b834d9a-57
0.341
KEI-TRE-d5e2018a-52
0.341
MAR-TRE-66ac689e-10
0.341
MAR-TRE-2fd8122f-15
0.341
MAR-TRE-2fd8122f-5
0.340
MAR-TRE-2fd8122f-41
0.340
MAR-TRE-67513f76-81
0.338
AUS-ARG-7cfdce8f-11
0.338
JOR-UNI-2fc98d0b-7
0.338
WAR-XCH-eb7b662f-6
0.338
JAN-GHE-83b26c96-19
0.338
DAR-DIA-23aa0b97-14
0.338
WAR-XCH-eb7b662f-7
0.338
CHR-SOS-7098f804-11
0.338
JAN-GHE-4287bd1a-9
0.338
MAK-UNK-a7b37c5e-2
0.338
CHA-MCP-85291e1d-4
0.337
ADA-UNI-f8e79267-3
0.337
CHR-SOS-7098f804-15
0.337
KEI-TRE-d5e2018a-91
0.337
MAR-TRE-67513f76-51
0.337
MAK-UNK-ca11b4f7-3
0.333
MAK-UNK-ca11b4f7-2
0.333
MAR-LAB-ff9967db-18
0.333
KEI-TRE-d5e2018a-64
0.333
MAR-TRE-2fd8122f-66
0.333
KEI-TRE-d5e2018a-61
0.333
MAR-TRE-d0525fbf-55
0.333