Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1ccccc1CCN1CC(O)C1 |
MW: | 312.373 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 77.49 |
cLogP: | 1.9446 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
BAR-COM-5694a99d-4
0.600
BAR-COM-5694a99d-5
0.584
JIA-UNI-12b1f9ae-1
0.562
SAD-SAT-689b7d5a-5
0.506
BAR-COM-5694a99d-3
0.494
MAK-UNK-30aad1f1-1
0.449
SAD-SAT-689b7d5a-1
0.449
AAR-POS-d2a4d1df-11
0.441
DAR-DIA-842b4336-2
0.425
SAD-SAT-cefd50cc-1
0.423
MAK-UNK-30aad1f1-14
0.419
WAR-XCH-6eb0722e-2
0.418
HUB-UNK-9845d277-3
0.417
WAR-XCH-6eb0722e-4
0.416
MAK-UNK-d1e89583-4
0.413
WIL-UNI-5578df48-30
0.411
WAR-XCH-6eb0722e-1
0.411
WAR-XCH-6eb0722e-3
0.409
MAK-UNK-d1e89583-2
0.408
BAR-COM-5694a99d-2
0.407
STE-LAU-aafa5dff-1
0.407
WAR-XCH-6eb0722e-6
0.407
WIL-UNI-5578df48-26
0.405
WAR-XCH-6eb0722e-5
0.404
IAN-BAS-df1706d7-1
0.398
DAR-DIA-842b4336-1
0.397
MAK-UNK-129dcd6f-5
0.395
TAM-UNI-c140e31a-19
0.395
ALE-MCD-4ac17b19-1
0.391
MAK-UNK-d1e89583-8
0.390
MAK-UNK-d1e89583-1
0.387
MAK-UNK-129dcd6f-4
0.382
WAR-XCH-eb7b662f-6
0.382
JOR-UNI-61e7b1d5-1
0.379
SAD-SAT-135344c3-3
0.378
BAR-COM-21d20d65-2
0.378
SAM-UNK-2684b532-8
0.378
MAK-UNK-de8f6d00-5
0.375
LON-WEI-4d77710c-22
0.374
LON-WEI-5e7d1b3e-22
0.374
WAR-XCH-eb7b662f-3
0.373
MAK-UNK-37f1d6fa-1
0.371
DAR-DIA-842b4336-6
0.370
KEI-TRE-d5e2018a-98
0.368
DAR-DIA-23aa0b97-15
0.368
WIL-UNI-5578df48-17
0.368
SIM-DEM-f31d0e65-1
0.368
DAR-DIA-842b4336-7
0.367
CHR-SOS-363cfb78-1
0.367
DAR-DIA-842b4336-11
0.367
HUB-UNK-9845d277-14
0.367
SAD-SAT-135344c3-1
0.366
ALE-HEI-f28a35b5-15
0.365
JOR-UNI-2fc98d0b-7
0.364
JAN-GHE-83b26c96-19
0.364
WAR-XCH-eb7b662f-7
0.364
DAR-DIA-842b4336-3
0.364
DAR-DIA-842b4336-4
0.364
ANN-UNI-26382800-3
0.364
DAR-DIA-23aa0b97-14
0.364
JOH-UNK-14e6adc5-2
0.364
SAD-SAT-f25ee457-7
0.363
CHR-SOS-363cfb78-3
0.363
WAR-XCH-eb7b662f-1
0.362
JOR-UNI-61e7b1d5-2
0.362
ANN-UNI-26382800-4
0.362
DAR-DIA-23aa0b97-5
0.362
WIL-UNI-5578df48-15
0.361
ASH-UNK-40b46b30-7
0.361
SAD-SAT-689b7d5a-8
0.360
BAR-COM-21d20d65-9
0.360
WIL-UNI-5578df48-24
0.360
ALE-HEI-f28a35b5-8
0.359
MAK-UNK-d1e89583-7
0.359
BAR-COM-21d20d65-1
0.359
MAK-UNK-ae34c249-1
0.358
SAD-SAT-689b7d5a-2
0.358
SAD-SAT-689b7d5a-7
0.358
SAD-SAT-135344c3-7
0.355
JOH-IMS-62aeb97d-3
0.354
MAK-UNK-a7b37c5e-1
0.354
ALE-HEI-f28a35b5-4
0.354
SAD-SAT-689b7d5a-9
0.354
MAK-UNK-c749d764-13
0.353
WIL-UNI-5578df48-14
0.353
MAR-TRE-2fd8122f-21
0.352
WIL-UNI-5578df48-23
0.352
WIL-UNI-5578df48-29
0.351
DAR-DIA-842b4336-5
0.350
FRA-FAC-9ed5a63a-3
0.350
DAR-DIA-842b4336-8
0.350
WAR-XCH-eb7b662f-4
0.350
WIL-UNI-5578df48-21
0.350
MAK-UNK-de8f6d00-3
0.350
FRA-FAC-9ed5a63a-4
0.349
SAD-SAT-689b7d5a-10
0.349
WIL-UNI-5578df48-18
0.348
MAR-TRE-67513f76-81
0.348
CAS-DEP-e179b1f5-1
0.348
MAK-UNK-009ebe36-2
0.348