Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc(CCCc2ccc[nH]2)c1 |
MW: | 320.396 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 69.81 |
cLogP: | 4.229 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
BAR-COM-21d20d65-5
0.597
WIL-UNI-5578df48-24
0.584
BAR-COM-21d20d65-8
0.564
BAR-COM-21d20d65-9
0.564
BAR-COM-21d20d65-4
0.564
BAR-COM-21d20d65-2
0.562
BAR-COM-21d20d65-6
0.550
BAR-COM-21d20d65-1
0.537
BAR-COM-21d20d65-7
0.537
WIL-UNI-5578df48-26
0.526
WIL-UNI-5578df48-28
0.513
WIL-UNI-5578df48-27
0.500
JAN-GHE-83b26c96-19
0.493
DAR-DIA-23aa0b97-14
0.493
JOR-UNI-2fc98d0b-7
0.493
WAR-XCH-eb7b662f-7
0.493
WAR-XCH-eb7b662f-6
0.472
WIL-UNI-5578df48-29
0.471
WIL-UNI-5578df48-25
0.465
MAK-UNK-30aad1f1-6
0.461
SAD-SAT-135344c3-7
0.460
WIL-UNI-5578df48-30
0.455
WIL-UNI-5578df48-21
0.453
JOR-UNI-61e7b1d5-2
0.447
ANN-UNI-26382800-4
0.447
DAR-DIA-23aa0b97-5
0.447
WAR-XCH-eb7b662f-1
0.447
WIL-UNI-5578df48-22
0.430
MAK-UNK-10dfa458-24
0.425
WAR-XCH-eb7b662f-3
0.425
DAR-DIA-23aa0b97-15
0.419
MAK-UNK-129dcd6f-9
0.419
WIL-UNI-5578df48-19
0.415
AAR-POS-d2a4d1df-11
0.414
MAK-UNK-30aad1f1-8
0.409
MAK-UNK-129dcd6f-2
0.402
DAR-DIA-842b4336-2
0.400
WAR-XCH-eb7b662f-4
0.397
WIL-UNI-5578df48-20
0.395
WIL-UNI-5578df48-23
0.393
WAR-XCH-eb7b662f-5
0.392
DAR-DIA-842b4336-1
0.392
MAK-UNK-d1e89583-4
0.390
MAK-UNK-d1e89583-7
0.390
SAD-SAT-135344c3-10
0.386
BAR-COM-4e090d3a-11
0.384
MAK-UNK-d1e89583-1
0.382
WIL-UNI-5578df48-14
0.381
CHR-SOS-363cfb78-1
0.380
WAR-XCH-eb7b662f-2
0.378
JOH-UNK-14e6adc5-2
0.377
ANN-UNI-26382800-3
0.377
WIL-UNI-5578df48-18
0.375
MAK-UNK-37f1d6fa-6
0.375
MAK-UNK-009ebe36-2
0.374
WIL-UNI-5578df48-15
0.373
SAD-SAT-f25ee457-8
0.372
MAK-UNK-129dcd6f-3
0.368
CHA-MCP-85291e1d-1
0.368
MAK-UNK-d1e89583-2
0.367
SAD-SAT-cefd50cc-1
0.366
JAN-LUN-8953ce76-6
0.364
JAN-LUN-3e0f9c09-2
0.364
JAN-LUN-3e0f9c09-1
0.364
JAN-LUN-8953ce76-4
0.364
MAK-UNK-10dfa458-16
0.364
DAR-DIA-842b4336-8
0.362
DAR-DIA-842b4336-7
0.362
SAD-SAT-689b7d5a-3
0.361
ALE-HEI-f28a35b5-15
0.360
DAR-DIA-842b4336-3
0.359
DAR-DIA-842b4336-4
0.359
CHA-MCP-85291e1d-4
0.356
SAD-SAT-689b7d5a-8
0.356
DAR-DIA-842b4336-9
0.354
JAN-LUN-8953ce76-7
0.352
JAN-LUN-8953ce76-1
0.352
JAN-LUN-3e0f9c09-4
0.352
MAK-UNK-ca11b4f7-1
0.352
BAR-COM-5694a99d-5
0.352
ALE-HEI-f28a35b5-4
0.350
DAR-DIA-842b4336-6
0.349
WIL-UNI-5578df48-17
0.348
MAK-UNK-30aad1f1-12
0.348
WIL-UNI-5578df48-16
0.348
HUB-UNK-9845d277-14
0.348
EDG-MED-0da5ad92-2
0.346
DAR-DIA-842b4336-5
0.346
BAR-COM-5694a99d-4
0.344
JOR-UNI-61e7b1d5-1
0.344
TRY-UNI-bbd40bb4-4
0.344
WIL-UNI-5578df48-31
0.344
MAR-TRE-67513f76-81
0.343
ALE-HEI-f28a35b5-14
0.342
TAM-UNI-c140e31a-19
0.341
MAR-TRE-4f781e27-2
0.341
MAR-TRE-9d18ae8c-52
0.341
MAK-UNK-10dfa458-31
0.341
MAK-UNK-30aad1f1-7
0.340
MAK-UNK-009ebe36-7
0.340