Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1ccccc1CCC1(O)CNC1 |
MW: | 312.373 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 86.28 |
cLogP: | 1.9925 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
BAR-COM-5694a99d-4
0.600
BAR-COM-5694a99d-1
0.584
JIA-UNI-12b1f9ae-1
0.541
BAR-COM-5694a99d-3
0.512
SAD-SAT-689b7d5a-5
0.506
MAK-UNK-30aad1f1-1
0.466
SAD-SAT-689b7d5a-1
0.449
AAR-POS-d2a4d1df-11
0.441
HUB-UNK-9845d277-3
0.434
SAD-SAT-cefd50cc-1
0.423
MAK-UNK-30aad1f1-14
0.419
MAK-UNK-d1e89583-4
0.413
TAM-UNI-c140e31a-19
0.412
MAK-UNK-129dcd6f-5
0.412
MAK-UNK-d1e89583-2
0.408
STE-LAU-aafa5dff-1
0.407
BAR-COM-5694a99d-2
0.407
WIL-UNI-5578df48-26
0.405
LON-WEI-4d77710c-22
0.404
LON-WEI-5e7d1b3e-22
0.404
MAK-UNK-129dcd6f-4
0.398
IAN-BAS-df1706d7-1
0.398
WAR-XCH-6eb0722e-1
0.396
WAR-XCH-6eb0722e-3
0.394
BAR-COM-21d20d65-2
0.393
WAR-XCH-6eb0722e-6
0.391
MAK-UNK-d1e89583-8
0.390
WAR-XCH-6eb0722e-5
0.389
WAR-XCH-6eb0722e-2
0.387
DAR-DIA-842b4336-2
0.387
WAR-XCH-6eb0722e-4
0.385
MAK-UNK-10dfa458-16
0.384
DAR-DIA-842b4336-4
0.382
WAR-XCH-eb7b662f-6
0.382
ANN-UNI-26382800-3
0.382
JOH-UNK-14e6adc5-2
0.382
DAR-DIA-842b4336-1
0.378
SAD-SAT-135344c3-3
0.378
CHR-SOS-363cfb78-3
0.378
BAR-COM-21d20d65-4
0.375
WAR-XCH-eb7b662f-3
0.373
MAK-UNK-37f1d6fa-1
0.371
KEI-TRE-d5e2018a-98
0.368
MAK-UNK-d1e89583-1
0.368
DAR-DIA-23aa0b97-15
0.368
MAR-TRE-2fd8122f-27
0.368
MAK-UNK-30aad1f1-12
0.368
DAR-DIA-842b4336-7
0.367
HUB-UNK-9845d277-14
0.367
MAK-UNK-d1e89583-3
0.366
SAD-SAT-135344c3-1
0.366
ALE-HEI-f28a35b5-15
0.365
DAR-DIA-23aa0b97-14
0.364
JOR-UNI-61e7b1d5-1
0.364
WAR-XCH-eb7b662f-7
0.364
JOR-UNI-2fc98d0b-7
0.364
JAN-GHE-83b26c96-19
0.364
DAR-DIA-842b4336-3
0.364
ANN-UNI-26382800-4
0.362
WAR-XCH-eb7b662f-1
0.362
JOR-UNI-61e7b1d5-2
0.362
DAR-DIA-23aa0b97-5
0.362
MAK-UNK-de8f6d00-5
0.362
WIL-UNI-5578df48-15
0.361
MAR-TRE-7f7bb9f0-46
0.361
MAK-UNK-d1e89583-9
0.361
ASH-UNK-40b46b30-7
0.361
SAD-SAT-689b7d5a-8
0.360
ALE-MCD-4ac17b19-1
0.360
WIL-UNI-5578df48-24
0.360
MAT-POS-02ae579f-2
0.360
MAK-UNK-d1e89583-7
0.359
BAR-COM-21d20d65-7
0.359
BAR-COM-21d20d65-1
0.359
DAR-DIA-842b4336-9
0.358
JOH-IMS-62aeb97d-5
0.357
BAR-COM-21d20d65-5
0.356
ALE-HEI-f28a35b5-4
0.354
MAK-UNK-a7b37c5e-1
0.354
MAK-UNK-d1e89583-6
0.354
SAD-SAT-689b7d5a-9
0.354
MAK-UNK-d1e89583-5
0.354
DAR-DIA-842b4336-6
0.354
HUB-UNK-9845d277-4
0.354
WIL-UNI-5578df48-14
0.353
WIL-UNI-5578df48-17
0.352
SIM-DEM-f31d0e65-1
0.352
BAR-COM-21d20d65-3
0.352
DAR-DIA-842b4336-5
0.350
DAR-DIA-842b4336-8
0.350
WAR-XCH-eb7b662f-4
0.350
CHR-SOS-363cfb78-1
0.350
WIL-UNI-5578df48-21
0.350
WAR-XCH-eb7b662f-2
0.349
CHR-SOS-70e4c98a-6
0.349
NAU-LAT-445f63e5-6
0.348
WIL-UNI-5578df48-18
0.348
SAD-SAT-f25ee457-7
0.348
MAR-TRE-67513f76-81
0.348
MAK-UNK-ae34c249-1
0.346