Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(N(C(=O)Nc2cccnc2)c2ccccc2)cn1 |
MW: | 368.418 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 92.26 |
cLogP: | 3.2503 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WIL-UNI-5578df48-2
0.661
WIL-UNI-5578df48-1
0.612
EMI-TUK-a58865cc-3
0.548
WIL-UNI-5578df48-6
0.545
EMI-TUK-a58865cc-2
0.526
EMI-TUK-a58865cc-1
0.519
ASH-UNK-40b46b30-3
0.487
WIL-UNI-5578df48-5
0.474
WIL-UNI-5578df48-7
0.473
KEI-TRE-d5e2018a-81
0.468
WIL-UNI-5578df48-4
0.442
BEN-BAS-3b12fa42-1
0.433
WIL-UNI-5578df48-3
0.429
EMI-TUK-a58865cc-5
0.418
WIL-UNI-5578df48-33
0.416
EMI-TUK-a58865cc-7
0.407
EMI-TUK-a58865cc-6
0.402
ASH-UNK-40b46b30-9
0.402
EMI-TUK-a58865cc-4
0.398
AAR-POS-d2a4d1df-11
0.397
KEI-TRE-d5e2018a-55
0.393
DAR-DIA-fc970077-14
0.392
ASH-UNK-40b46b30-1
0.391
BEN-BAS-e0d85f98-1
0.389
KEI-TRE-d5e2018a-24
0.388
IAN-BAS-0ac8c25d-1
0.387
ERI-UCB-ce40166b-23
0.382
DAR-DIA-fc970077-9
0.378
KEI-TRE-d5e2018a-16
0.375
KEI-TRE-d5e2018a-27
0.369
MAR-TRE-7f7bb9f0-16
0.369
KEI-TRE-d5e2018a-64
0.366
WIL-UNI-5578df48-39
0.366
KEI-TRE-d5e2018a-29
0.365
KEI-TRE-d5e2018a-25
0.365
KAY-MCD-59dc2eb3-1
0.363
KEI-TRE-d5e2018a-71
0.363
MAR-TRE-67513f76-32
0.361
PET-SGC-d0156db4-1
0.361
PET-SGC-b0f8bd49-1
0.361
DRE-WAB-ae4a693c-1
0.361
KEI-TRE-d5e2018a-99
0.361
BEN-DND-362d364a-12
0.361
ADA-UNI-f8e79267-1
0.360
KEI-TRE-d5e2018a-56
0.359
MAK-UNK-ca11b4f7-3
0.358
KEI-TRE-d5e2018a-42
0.357
KEI-TRE-d5e2018a-19
0.356
JOR-UNI-2fc98d0b-8
0.356
JOR-UNI-2fc98d0b-2
0.356
SAN-PRS-52b81272-3
0.356
SAN-PRS-52b81272-2
0.356
KEI-TRE-d5e2018a-91
0.356
JOR-UNI-2fc98d0b-11
0.355
JOR-UNI-2fc98d0b-5
0.355
MAR-TRE-04c86cea-97
0.354
JOH-IMS-62aeb97d-5
0.353
KEI-TRE-d5e2018a-7
0.352
MAR-TRE-4b834d9a-16
0.352
KEI-TRE-d5e2018a-43
0.352
KEI-TRE-d5e2018a-92
0.352
SAD-SAT-24589cd1-4
0.351
ADA-UNI-f8e79267-2
0.349
KEI-TRE-d5e2018a-69
0.349
TAM-UNI-c140e31a-10
0.349
KEI-TRE-d5e2018a-34
0.348
KEI-TRE-d5e2018a-82
0.348
JOR-UNI-2fc98d0b-6
0.347
JOR-UNI-2fc98d0b-10
0.347
JOR-UNI-2fc98d0b-14
0.347
KEI-TRE-d5e2018a-87
0.347
DAR-DIA-842b4336-2
0.347
KEI-TRE-d5e2018a-17
0.345
ADA-UNI-f8e79267-4
0.345
KEI-TRE-d5e2018a-4
0.344
MAR-TRE-67513f76-81
0.343
ALE-HEI-f28a35b5-15
0.342
AUS-ARG-7cfdce8f-11
0.342
DAR-DIA-842b4336-4
0.342
WAR-XCH-eb7b662f-6
0.342
DAR-DIA-842b4336-3
0.342
CHR-SOS-f7373dd1-4
0.341
MAR-TRE-2fd8122f-37
0.341
ADA-UNI-f8e79267-3
0.341
JOR-UNI-61e7b1d5-9
0.341
KEI-TRE-d5e2018a-100
0.341
JOR-UNI-61e7b1d5-7
0.341
JOR-UNI-2fc98d0b-4
0.340
JOR-UNI-2fc98d0b-1
0.340
JOR-UNI-2fc98d0b-17
0.340
JOR-UNI-61e7b1d5-28
0.340
KEI-TRE-d5e2018a-59
0.340
JOR-UNI-2fc98d0b-15
0.340
JOR-UNI-61e7b1d5-14
0.340
MAK-UNK-ca11b4f7-2
0.338
DAR-DIA-842b4336-1
0.338
SAD-SAT-689b7d5a-4
0.337
MAR-TRE-d0525fbf-55
0.337
JOR-UNI-61e7b1d5-26
0.337
JOR-UNI-61e7b1d5-22
0.333