Molecular Properties | |
SMILES: | NC(=O)[C@@H](F)CCc1cccc(NC(=O)Nc2cccnc2)c1 |
MW: | 316.336 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 97.11 |
cLogP: | 2.4816 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-24
0.667
BAR-COM-21d20d65-1
0.653
BAR-COM-21d20d65-8
0.644
BAR-COM-21d20d65-4
0.600
BAR-COM-21d20d65-5
0.592
BAR-COM-21d20d65-6
0.584
WIL-UNI-5578df48-28
0.568
BAR-COM-21d20d65-3
0.564
WIL-UNI-5578df48-26
0.560
BAR-COM-21d20d65-2
0.557
BAR-COM-21d20d65-7
0.550
WIL-UNI-5578df48-27
0.512
JOR-UNI-2fc98d0b-7
0.507
DAR-DIA-23aa0b97-14
0.507
WAR-XCH-eb7b662f-7
0.507
JAN-GHE-83b26c96-19
0.507
WIL-UNI-5578df48-29
0.500
WAR-XCH-eb7b662f-6
0.486
WIL-UNI-5578df48-30
0.482
WIL-UNI-5578df48-25
0.476
SAD-SAT-135344c3-7
0.471
WIL-UNI-5578df48-21
0.466
WAR-XCH-eb7b662f-1
0.459
DAR-DIA-23aa0b97-5
0.459
JOR-UNI-61e7b1d5-2
0.459
ANN-UNI-26382800-4
0.459
MAK-UNK-30aad1f1-6
0.455
WIL-UNI-5578df48-22
0.442
WAR-XCH-eb7b662f-3
0.437
DAR-DIA-23aa0b97-15
0.431
MAK-UNK-129dcd6f-2
0.429
AAR-POS-d2a4d1df-11
0.426
WIL-UNI-5578df48-19
0.425
WIL-UNI-5578df48-14
0.425
WIL-UNI-5578df48-20
0.422
MAK-UNK-10dfa458-24
0.419
WIL-UNI-5578df48-15
0.418
ALE-HEI-f28a35b5-4
0.413
SAD-SAT-135344c3-10
0.412
MAK-UNK-129dcd6f-9
0.412
WAR-XCH-eb7b662f-4
0.408
CHR-SOS-363cfb78-1
0.408
DAR-DIA-842b4336-1
0.403
WAR-XCH-eb7b662f-5
0.403
IAN-BAS-df1706d7-1
0.402
WIL-UNI-5578df48-23
0.402
MAK-UNK-d1e89583-4
0.400
MAK-UNK-d1e89583-7
0.400
SAD-SAT-f25ee457-8
0.398
MAK-UNK-37f1d6fa-6
0.396
WIL-UNI-5578df48-31
0.396
MAK-UNK-d1e89583-2
0.395
SAD-SAT-cefd50cc-1
0.392
DAR-DIA-842b4336-2
0.392
WAR-XCH-eb7b662f-2
0.388
SAD-SAT-689b7d5a-3
0.388
DAR-DIA-842b4336-3
0.387
JOH-UNK-14e6adc5-2
0.387
ANN-UNI-26382800-3
0.387
DAR-DIA-842b4336-4
0.387
MAK-UNK-30aad1f1-8
0.386
WIL-UNI-5578df48-16
0.386
JOR-UNI-61e7b1d5-1
0.384
WIL-UNI-5578df48-18
0.384
BAR-COM-5694a99d-4
0.384
MAK-UNK-009ebe36-2
0.382
CHA-MCP-85291e1d-4
0.381
DAR-DIA-842b4336-9
0.380
JIA-UNI-12b1f9ae-1
0.378
CHA-MCP-85291e1d-1
0.376
MAK-UNK-129dcd6f-3
0.376
SAD-SAT-689b7d5a-1
0.376
MAK-UNK-d1e89583-1
0.373
WIL-UNI-5578df48-32
0.372
JAN-LUN-8953ce76-4
0.372
JAN-LUN-3e0f9c09-2
0.372
EDG-MED-0da5ad92-2
0.372
DAR-DIA-842b4336-7
0.372
DAR-DIA-842b4336-8
0.372
DAR-DIA-842b4336-5
0.372
ALE-HEI-f28a35b5-15
0.370
SAD-SAT-f25ee457-7
0.367
MAK-UNK-ae34c249-2
0.365
SAD-SAT-689b7d5a-8
0.365
ASH-UNK-40b46b30-7
0.365
LON-WEI-4d77710c-22
0.363
WAR-XCH-6eb0722e-5
0.363
LON-WEI-5e7d1b3e-22
0.363
MAK-UNK-d1e89583-8
0.361
BAR-COM-5694a99d-1
0.360
DAR-DIA-842b4336-6
0.358
HUB-UNK-9845d277-3
0.356
WIL-UNI-5578df48-17
0.356
HUB-UNK-9845d277-14
0.356
SAD-SAT-689b7d5a-10
0.353
MAR-TRE-67513f76-81
0.353
MAK-UNK-129dcd6f-5
0.352
EMI-TUK-a58865cc-1
0.352
WAR-XCH-6eb0722e-6
0.351
TAM-UNI-c140e31a-19
0.349