Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc(CN2CCCC(O)C2)c1 |
MW: | 326.17 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 77.49 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
BAR-COM-21d20d65-2
0.500
WIL-UNI-5578df48-26
0.500
WIL-UNI-5578df48-29
0.500
WIL-UNI-5578df48-25
0.494
BAR-COM-21d20d65-7
0.494
BAR-COM-21d20d65-1
0.494
SAD-SAT-135344c3-7
0.489
WIL-UNI-5578df48-28
0.488
BAR-COM-21d20d65-4
0.482
WIL-UNI-5578df48-24
0.482
BAR-COM-21d20d65-9
0.482
BAR-COM-21d20d65-5
0.477
BAR-COM-21d20d65-6
0.471
BAR-COM-21d20d65-8
0.465
WIL-UNI-5578df48-27
0.461
BAR-COM-21d20d65-3
0.455
DAR-DIA-23aa0b97-14
0.447
JOR-UNI-2fc98d0b-7
0.447
WAR-XCH-eb7b662f-7
0.447
JAN-GHE-83b26c96-19
0.447
WAR-XCH-eb7b662f-6
0.447
MAK-UNK-30aad1f1-6
0.441
SAD-SAT-135344c3-9
0.435
WIL-UNI-5578df48-21
0.430
WIL-UNI-5578df48-22
0.427
WAR-XCH-eb7b662f-1
0.425
ANN-UNI-26382800-4
0.425
DAR-DIA-23aa0b97-5
0.425
JOR-UNI-61e7b1d5-2
0.425
WIL-UNI-5578df48-19
0.412
BAR-COM-5694a99d-1
0.411
MAK-UNK-009ebe36-2
0.402
DAR-DIA-842b4336-2
0.397
MAK-UNK-ae34c249-2
0.396
WIL-UNI-5578df48-17
0.393
WIL-UNI-5578df48-20
0.393
AAR-POS-d2a4d1df-11
0.392
WIL-UNI-5578df48-23
0.391
ANT-DIA-3c79be55-5
0.391
MAK-UNK-009ebe36-8
0.387
WAR-XCH-eb7b662f-3
0.385
MAK-UNK-129dcd6f-2
0.385
MAK-UNK-009ebe36-10
0.383
DAR-DIA-23aa0b97-15
0.380
CHR-SOS-363cfb78-1
0.378
WIL-UNI-5578df48-16
0.376
MAK-UNK-10dfa458-24
0.376
DAR-DIA-842b4336-1
0.372
MAK-UNK-d1e89583-7
0.370
ALE-HEI-f28a35b5-8
0.370
MAK-UNK-129dcd6f-9
0.370
SAD-SAT-f0a2747f-4
0.368
SAD-SAT-cefd50cc-1
0.365
MAR-TRE-2fd8122f-30
0.365
MAK-UNK-de8f6d00-2
0.364
MAK-UNK-ae34c249-7
0.362
MAK-UNK-30aad1f1-8
0.362
WAR-XCH-eb7b662f-4
0.361
MED-UNK-e6e8ef8a-5
0.361
DAR-DIA-842b4336-8
0.361
SAD-SAT-689b7d5a-3
0.360
DAR-DIA-842b4336-4
0.358
JOH-UNK-14e6adc5-2
0.358
ANN-UNI-26382800-3
0.358
WAR-XCH-eb7b662f-5
0.357
WIL-UNI-5578df48-15
0.356
SAD-SAT-f25ee457-8
0.356
MAR-TRE-3e4e6814-62
0.356
AHN-SAT-d468bb5b-1
0.355
MAK-UNK-d1e89583-4
0.354
MAK-UNK-009ebe36-7
0.354
JOR-UNI-2fc98d0b-3
0.354
SAD-SAT-689b7d5a-7
0.354
JOR-UNI-61e7b1d5-5
0.353
DAR-DIA-842b4336-9
0.353
MAK-UNK-987948f6-11
0.351
SAD-SAT-135344c3-2
0.351
MAK-UNK-d1e89583-2
0.349
JOH-IMS-62aeb97d-3
0.349
DAR-DIA-842b4336-6
0.349
WIL-UNI-5578df48-14
0.348
MAR-TRE-2fd8122f-39
0.347
MAR-TRE-3e4e6814-45
0.347
MAK-UNK-d1e89583-1
0.346
DAR-DIA-842b4336-7
0.345
MED-UNK-e6e8ef8a-1
0.345
FRA-FAC-9ed5a63a-3
0.345
WAR-XCH-eb7b662f-2
0.345
FRA-FAC-9ed5a63a-4
0.345
NAU-LAT-64f4b287-10
0.344
WIL-UNI-5578df48-18
0.344
SAD-SAT-135344c3-8
0.343
ALE-HEI-f28a35b5-15
0.342
DAR-DIA-842b4336-3
0.341
ALE-MCD-4ac17b19-1
0.340
MAK-UNK-10dfa458-31
0.340
ADA-UNI-f8e79267-11
0.340
BAR-COM-4e090d3a-61
0.340
SAD-SAT-7d5528d9-35
0.340
MAK-UNK-129dcd6f-3
0.337