Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc2c1C2 |
MW: | 225.09 |
Fraction sp3: | 0.08 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 2.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
MAK-UNK-d1e89583-4
0.484
MAK-UNK-d1e89583-2
0.477
DAR-DIA-23aa0b97-15
0.476
AAR-POS-d2a4d1df-11
0.475
DAR-DIA-23aa0b97-14
0.469
WAR-XCH-eb7b662f-7
0.469
JOR-UNI-2fc98d0b-7
0.469
JAN-GHE-83b26c96-19
0.469
WAR-XCH-eb7b662f-6
0.469
DAR-DIA-842b4336-2
0.453
JIA-UNI-12b1f9ae-1
0.451
DAR-DIA-842b4336-5
0.448
WIL-UNI-5578df48-21
0.448
JOH-UNK-14e6adc5-2
0.446
ANN-UNI-26382800-3
0.446
DAR-DIA-842b4336-1
0.444
DAR-DIA-23aa0b97-5
0.441
ANN-UNI-26382800-4
0.441
WAR-XCH-eb7b662f-1
0.441
JOR-UNI-61e7b1d5-2
0.441
HUB-UNK-9845d277-3
0.440
IAN-BAS-df1706d7-1
0.438
WAR-XCH-eb7b662f-3
0.438
TAM-UNI-c140e31a-19
0.437
MAK-UNK-129dcd6f-5
0.434
SAD-SAT-689b7d5a-8
0.432
MAK-UNK-d1e89583-1
0.431
CHR-SOS-363cfb78-3
0.430
BAR-COM-5694a99d-2
0.429
WIL-UNI-5578df48-26
0.427
DAR-DIA-842b4336-3
0.424
DAR-DIA-842b4336-4
0.424
BAR-COM-5694a99d-1
0.423
BAR-COM-5694a99d-5
0.423
WIL-UNI-5578df48-22
0.423
SAD-SAT-689b7d5a-5
0.421
MAK-UNK-d1e89583-7
0.418
ALE-HEI-f28a35b5-8
0.418
HUB-UNK-9845d277-14
0.418
WIL-UNI-5578df48-15
0.417
BAR-COM-5694a99d-4
0.416
MAR-TRE-67513f76-81
0.414
ALE-HEI-f28a35b5-4
0.412
MAK-UNK-129dcd6f-9
0.410
STE-LAU-aafa5dff-1
0.410
MAK-UNK-129dcd6f-2
0.410
BAR-COM-5694a99d-3
0.410
MAK-UNK-129dcd6f-3
0.408
ALE-HEI-f28a35b5-15
0.406
ALE-HEI-f28a35b5-14
0.406
CHR-SOS-363cfb78-1
0.406
DAR-DIA-842b4336-8
0.406
WAR-XCH-eb7b662f-4
0.406
DAR-DIA-842b4336-7
0.406
FRA-FAC-9ed5a63a-3
0.406
WIL-UNI-5578df48-19
0.405
MAK-UNK-30aad1f1-14
0.405
FRA-FAC-9ed5a63a-4
0.403
MAK-UNK-129dcd6f-12
0.403
MAK-UNK-10dfa458-24
0.400
MAK-UNK-ca11b4f7-1
0.400
WIL-UNI-5578df48-16
0.400
WAR-XCH-eb7b662f-5
0.400
JOH-IMS-62aeb97d-5
0.400
MAK-UNK-129dcd6f-4
0.400
JOR-UNI-61e7b1d5-1
0.397
MAK-UNK-009ebe36-2
0.395
WIL-UNI-5578df48-28
0.395
DAR-DIA-842b4336-9
0.394
MAK-UNK-10dfa458-31
0.392
BAR-COM-21d20d65-4
0.392
BAR-COM-21d20d65-8
0.392
BAR-COM-21d20d65-9
0.392
ALE-MCD-4ac17b19-1
0.392
WIL-UNI-5578df48-24
0.392
MAK-UNK-c749d764-17
0.391
CHR-SOS-363cfb78-4
0.391
WIL-UNI-5578df48-25
0.390
WIL-UNI-5578df48-27
0.390
BAR-COM-21d20d65-1
0.390
DAR-DIA-842b4336-6
0.389
SAD-SAT-689b7d5a-9
0.389
CHR-SOS-363cfb78-5
0.389
BAR-COM-21d20d65-5
0.388
MAK-UNK-c749d764-13
0.387
WIL-UNI-5578df48-14
0.387
DAR-DIA-842b4336-11
0.386
SAD-SAT-135344c3-7
0.386
WIL-UNI-5578df48-17
0.385
WIL-UNI-5578df48-20
0.385
WIL-UNI-5578df48-2
0.385
SAD-SAT-689b7d5a-3
0.384
WAR-XCH-eb7b662f-2
0.384
MAK-UNK-ca11b4f7-2
0.383
MAK-UNK-ca11b4f7-3
0.383
WIL-UNI-5578df48-23
0.383
BAR-COM-21d20d65-6
0.383
BAR-COM-21d20d65-2
0.378
SAD-SAT-f25ee457-7
0.378
SAD-SAT-f25ee457-8
0.377