Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc(CCC(O)CCO)c1 |
MW: | 315.16 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 94.48 |
cLogP: | 2.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
BAR-COM-21d20d65-9
0.667
BAR-COM-21d20d65-1
0.653
BAR-COM-21d20d65-6
0.605
BAR-COM-21d20d65-4
0.600
BAR-COM-21d20d65-5
0.592
BAR-COM-21d20d65-3
0.584
BAR-COM-21d20d65-8
0.579
WIL-UNI-5578df48-28
0.568
WIL-UNI-5578df48-26
0.560
BAR-COM-21d20d65-2
0.557
BAR-COM-21d20d65-7
0.550
DAR-DIA-23aa0b97-14
0.507
WAR-XCH-eb7b662f-7
0.507
JAN-GHE-83b26c96-19
0.507
JOR-UNI-2fc98d0b-7
0.507
SAD-SAT-135344c3-7
0.506
WIL-UNI-5578df48-27
0.494
WAR-XCH-eb7b662f-6
0.486
WIL-UNI-5578df48-29
0.482
WIL-UNI-5578df48-30
0.482
WIL-UNI-5578df48-25
0.476
WIL-UNI-5578df48-21
0.466
WAR-XCH-eb7b662f-1
0.459
JOR-UNI-61e7b1d5-2
0.459
ANN-UNI-26382800-4
0.459
DAR-DIA-23aa0b97-5
0.459
MAK-UNK-30aad1f1-6
0.455
WIL-UNI-5578df48-22
0.442
WAR-XCH-eb7b662f-3
0.437
DAR-DIA-23aa0b97-15
0.431
MAK-UNK-129dcd6f-2
0.429
AAR-POS-d2a4d1df-11
0.426
WIL-UNI-5578df48-19
0.425
DAR-DIA-842b4336-1
0.423
MAK-UNK-10dfa458-24
0.419
MAK-UNK-129dcd6f-9
0.412
SAD-SAT-135344c3-10
0.412
DAR-DIA-842b4336-2
0.411
CHR-SOS-363cfb78-1
0.408
WAR-XCH-eb7b662f-4
0.408
WIL-UNI-5578df48-20
0.405
WAR-XCH-eb7b662f-5
0.403
MAK-UNK-d1e89583-7
0.400
WIL-UNI-5578df48-15
0.400
MAK-UNK-d1e89583-4
0.400
BAR-COM-5694a99d-4
0.400
MAK-UNK-d1e89583-2
0.395
CHA-MCP-85291e1d-1
0.393
SAD-SAT-cefd50cc-1
0.392
WIL-UNI-5578df48-14
0.390
WAR-XCH-eb7b662f-2
0.388
ANN-UNI-26382800-3
0.387
DAR-DIA-842b4336-4
0.387
JOH-UNK-14e6adc5-2
0.387
WIL-UNI-5578df48-23
0.386
MAK-UNK-30aad1f1-8
0.386
JOR-UNI-61e7b1d5-1
0.384
MAK-UNK-009ebe36-2
0.382
CHA-MCP-85291e1d-4
0.381
SAD-SAT-f25ee457-8
0.381
WIL-UNI-5578df48-31
0.380
DAR-DIA-842b4336-9
0.380
ADA-UNI-f8e79267-11
0.379
LON-WEI-4d77710c-22
0.378
LON-WEI-5e7d1b3e-22
0.378
MAK-UNK-129dcd6f-3
0.376
MAK-UNK-d1e89583-1
0.373
DAR-DIA-842b4336-8
0.372
EDG-MED-0da5ad92-2
0.372
DAR-DIA-842b4336-7
0.372
SAD-SAT-689b7d5a-3
0.370
ALE-HEI-f28a35b5-15
0.370
IAN-BAS-df1706d7-1
0.369
DAR-DIA-842b4336-3
0.368
SAD-SAT-689b7d5a-8
0.365
JOH-IMS-62aeb97d-5
0.362
MAK-UNK-d1e89583-8
0.361
CHA-MCP-85291e1d-2
0.361
CAS-DEP-167c18e3-4
0.361
JIA-UNI-12b1f9ae-1
0.361
BAR-COM-5694a99d-1
0.360
BAR-COM-5694a99d-5
0.360
ALE-HEI-f28a35b5-4
0.359
DAR-DIA-842b4336-6
0.358
WIL-UNI-5578df48-32
0.358
HUB-UNK-9845d277-3
0.356
MAR-TRE-2fd8122f-2
0.356
WIL-UNI-5578df48-17
0.356
MAK-UNK-10dfa458-16
0.356
MAK-UNK-37f1d6fa-6
0.356
WIL-UNI-5578df48-16
0.356
DAR-DIA-842b4336-5
0.354
SAD-SAT-689b7d5a-10
0.353
MAR-TRE-67513f76-81
0.353
MAK-UNK-129dcd6f-5
0.352
WIL-UNI-5578df48-18
0.352
TAM-UNI-c140e31a-19
0.349
ANN-UNI-26382800-5
0.349
MAK-UNK-10dfa458-31
0.348
BAR-COM-5694a99d-3
0.348