Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc(CCC2(CO)CC2)c1 |
MW: | 311.385 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 74.25 |
cLogP: | 3.4307 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
BAR-COM-21d20d65-7
0.676
BAR-COM-21d20d65-2
0.662
BAR-COM-21d20d65-1
0.610
BAR-COM-21d20d65-9
0.600
WIL-UNI-5578df48-24
0.600
BAR-COM-21d20d65-8
0.579
BAR-COM-21d20d65-5
0.571
BAR-COM-21d20d65-6
0.564
BAR-COM-21d20d65-3
0.564
WIL-UNI-5578df48-26
0.560
WIL-UNI-5578df48-27
0.531
WIL-UNI-5578df48-28
0.526
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-5578df48-29
0.500
WIL-UNI-5578df48-25
0.494
WAR-XCH-eb7b662f-6
0.486
WIL-UNI-5578df48-30
0.482
MAK-UNK-30aad1f1-6
0.471
WIL-UNI-5578df48-21
0.466
DAR-DIA-23aa0b97-5
0.459
JOR-UNI-61e7b1d5-2
0.459
WAR-XCH-eb7b662f-1
0.459
ANN-UNI-26382800-4
0.459
AAR-POS-d2a4d1df-11
0.448
MAK-UNK-129dcd6f-2
0.446
WIL-UNI-5578df48-22
0.442
WIL-UNI-5578df48-20
0.439
WAR-XCH-eb7b662f-3
0.437
DAR-DIA-23aa0b97-15
0.431
WIL-UNI-5578df48-19
0.425
MAK-UNK-d1e89583-7
0.419
MAK-UNK-10dfa458-24
0.419
MAK-UNK-129dcd6f-9
0.412
DAR-DIA-842b4336-2
0.411
WAR-XCH-eb7b662f-4
0.408
WIL-UNI-5578df48-14
0.407
DAR-DIA-842b4336-1
0.403
WAR-XCH-eb7b662f-5
0.403
WIL-UNI-5578df48-23
0.402
MAK-UNK-30aad1f1-8
0.402
WIL-UNI-5578df48-15
0.400
MAK-UNK-009ebe36-2
0.398
DAR-DIA-842b4336-9
0.397
SAD-SAT-135344c3-10
0.395
MAK-UNK-129dcd6f-3
0.393
SAD-SAT-cefd50cc-1
0.392
CHR-SOS-363cfb78-1
0.390
WIL-UNI-5578df48-17
0.388
WAR-XCH-eb7b662f-2
0.388
DAR-DIA-842b4336-4
0.387
JOH-UNK-14e6adc5-2
0.387
ANN-UNI-26382800-3
0.387
DAR-DIA-842b4336-3
0.387
NAU-LAT-445f63e5-6
0.384
MAK-UNK-d1e89583-4
0.382
SAD-SAT-f25ee457-8
0.381
MAK-UNK-d1e89583-2
0.377
CHA-MCP-85291e1d-1
0.376
BAR-COM-5694a99d-5
0.375
CHR-SOS-59746812-1
0.373
MAR-TRE-2fd8122f-27
0.373
MAK-UNK-d1e89583-1
0.373
DAR-DIA-842b4336-7
0.372
DAR-DIA-842b4336-5
0.372
DAR-DIA-842b4336-8
0.372
WIL-UNI-5578df48-16
0.371
SAD-SAT-689b7d5a-3
0.370
ALE-HEI-f28a35b5-15
0.370
CHR-SOS-59746812-5
0.369
MAK-UNK-37f1d6fa-6
0.369
WIL-UNI-5578df48-18
0.368
CHR-SOS-59746812-2
0.366
MAK-UNK-d1e89583-9
0.366
MAK-UNK-ae34c249-2
0.365
SAN-PRS-52b81272-2
0.365
CHA-MCP-85291e1d-4
0.365
MAK-UNK-30aad1f1-7
0.363
AHN-SAT-d468bb5b-1
0.362
MAK-UNK-009ebe36-7
0.362
CHR-SOS-59746812-6
0.361
MAK-UNK-de8f6d00-2
0.359
ALE-HEI-f28a35b5-4
0.359
DAR-DIA-842b4336-6
0.358
MAR-TRE-2fd8122f-2
0.356
MAK-UNK-10dfa458-16
0.356
JAN-LUN-8953ce76-6
0.356
JAN-LUN-8953ce76-4
0.356
JAN-LUN-3e0f9c09-1
0.356
JAN-LUN-3e0f9c09-2
0.356
MAK-UNK-b2c98f02-6
0.355
SAD-SAT-135344c3-9
0.355
EDG-MED-0da5ad92-2
0.354
FRA-FAC-9ed5a63a-4
0.354
MAR-TRE-67513f76-81
0.353
JOR-UNI-61e7b1d5-1
0.352
MAK-UNK-009ebe36-8
0.352