Molecular Properties | |
SMILES: | O=C(Nc1ccc(Cn2cc(CF)nn2)cc1)Nc1cccnc1 |
MW: | 326.13 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 84.73 |
cLogP: | 2.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-15
0.500
WIL-UNI-5578df48-14
0.487
WIL-UNI-5578df48-18
0.458
AAR-POS-d2a4d1df-11
0.456
ANN-UNI-26382800-3
0.452
JOH-UNK-14e6adc5-2
0.452
WIL-UNI-5578df48-17
0.446
MAK-UNK-ae34c249-7
0.433
MAK-UNK-30aad1f1-7
0.432
WAR-XCH-eb7b662f-3
0.425
MAK-UNK-d1e89583-1
0.419
DAR-DIA-23aa0b97-15
0.419
DAR-DIA-842b4336-2
0.419
MAK-UNK-10dfa458-31
0.419
ALE-MCD-4ac17b19-1
0.419
MAK-UNK-129dcd6f-3
0.417
JOR-UNI-2fc98d0b-7
0.413
WAR-XCH-eb7b662f-7
0.413
DAR-DIA-23aa0b97-14
0.413
JAN-GHE-83b26c96-19
0.413
MAK-UNK-d1e89583-7
0.408
SAD-SAT-cefd50cc-1
0.400
MAK-UNK-10dfa458-16
0.395
MAK-UNK-129dcd6f-12
0.395
WAR-XCH-eb7b662f-6
0.395
DAR-DIA-842b4336-1
0.392
MAK-UNK-ca11b4f7-1
0.391
WIL-UNI-5578df48-28
0.388
BAR-COM-21d20d65-9
0.386
WIL-UNI-5578df48-19
0.381
WIL-UNI-5578df48-21
0.380
DAR-DIA-842b4336-8
0.380
WAR-XCH-eb7b662f-4
0.380
MAK-UNK-30aad1f1-12
0.379
DAR-DIA-842b4336-4
0.377
MAK-UNK-a7b37c5e-5
0.377
WIL-UNI-5578df48-30
0.376
DAR-DIA-23aa0b97-5
0.375
ANN-UNI-26382800-4
0.375
WAR-XCH-eb7b662f-5
0.375
WAR-XCH-eb7b662f-1
0.375
JOR-UNI-61e7b1d5-2
0.375
MAK-UNK-d1e89583-4
0.372
BAR-COM-21d20d65-4
0.371
BAR-COM-21d20d65-8
0.371
DAR-DIA-842b4336-9
0.370
JIA-UNI-12b1f9ae-1
0.369
WIL-UNI-5578df48-26
0.368
ALE-HEI-f28a35b5-4
0.367
MAK-UNK-d1e89583-2
0.367
MAK-UNK-a7b37c5e-4
0.364
MAK-UNK-10dfa458-24
0.363
BAR-COM-21d20d65-6
0.363
CHR-SOS-363cfb78-1
0.362
DAR-DIA-842b4336-7
0.362
DAR-DIA-842b4336-11
0.362
MAR-TRE-67513f76-81
0.362
WAR-XCH-eb7b662f-2
0.361
SAD-SAT-689b7d5a-3
0.361
WIL-UNI-5578df48-22
0.361
ALE-HEI-f28a35b5-15
0.360
DAR-DIA-842b4336-3
0.359
MAK-UNK-009ebe36-2
0.359
MAK-UNK-ae34c249-2
0.358
SAD-SAT-f25ee457-8
0.356
MAK-UNK-37f1d6fa-7
0.356
WIL-UNI-5578df48-24
0.356
MAK-UNK-129dcd6f-2
0.356
WIL-UNI-5578df48-27
0.355
WIL-UNI-5578df48-25
0.355
MAR-TRE-7f7bb9f0-74
0.354
JOH-IMS-62aeb97d-5
0.352
BAR-COM-21d20d65-5
0.352
SAD-SAT-135344c3-7
0.351
SAD-SAT-24589cd1-4
0.351
DAR-DIA-23aa0b97-16
0.350
DAR-DIA-842b4336-6
0.349
WIL-UNI-5578df48-20
0.348
BAR-COM-21d20d65-3
0.348
WIL-UNI-5578df48-29
0.347
DAR-DIA-842b4336-5
0.346
IAN-BAS-df1706d7-1
0.345
MAK-UNK-009ebe36-8
0.344
BAR-COM-21d20d65-2
0.344
WIL-UNI-5578df48-31
0.344
ALE-HEI-f28a35b5-14
0.342
SAD-SAT-689b7d5a-8
0.341
BAR-COM-5694a99d-2
0.341
MAK-UNK-129dcd6f-9
0.341
LON-WEI-4d77710c-22
0.340
LON-WEI-5e7d1b3e-22
0.340
BAR-COM-21d20d65-1
0.340
BAR-COM-21d20d65-7
0.340
MAK-UNK-30aad1f1-6
0.340
SAN-PRS-52b81272-2
0.338
MAK-UNK-d1e89583-8
0.337
MAR-TRE-04c86cea-97
0.337
SAD-SAT-689b7d5a-6
0.337
SAD-SAT-135344c3-2
0.337
WIL-UNI-5578df48-32
0.337