Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)c1ccccc1NC(=O)Nc1cccnc1 |
MW: | 347.378 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 96.01 |
cLogP: | 3.68132 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-129dcd6f-12
0.579
MAK-UNK-129dcd6f-9
0.564
MAK-UNK-129dcd6f-15
0.558
STE-LAU-aafa5dff-1
0.525
TRY-UNI-714a760b-4
0.493
ALE-HEI-f28a35b5-1
0.493
MAK-UNK-129dcd6f-5
0.476
MAK-UNK-129dcd6f-18
0.471
MAK-UNK-129dcd6f-17
0.458
MAK-UNK-37f1d6fa-1
0.450
MAR-TRE-2fd8122f-21
0.442
JIA-UNI-12b1f9ae-1
0.438
JAG-UCB-cedd89ab-8
0.436
TRY-UNI-714a760b-12
0.436
BAR-COM-5694a99d-3
0.435
TRY-UNI-714a760b-24
0.432
MAK-UNK-129dcd6f-16
0.430
DAR-DIA-0cde14eb-8
0.429
DAR-DIA-0cde14eb-7
0.429
HUB-UNK-9845d277-3
0.429
MAK-UNK-d1e89583-4
0.427
DAR-DIA-0cde14eb-69
0.424
BAR-COM-5694a99d-4
0.424
CHR-SOS-363cfb78-2
0.420
DAR-DIA-0cde14eb-5
0.417
AAR-POS-d2a4d1df-11
0.414
MAK-UNK-30aad1f1-14
0.414
DAR-DIA-842b4336-3
0.413
WAR-XCH-eb7b662f-6
0.413
ANN-UNI-26382800-3
0.413
JOH-UNK-14e6adc5-2
0.413
DAR-DIA-0cde14eb-6
0.412
SAD-SAT-689b7d5a-5
0.412
TAM-UNI-c140e31a-19
0.407
CHR-SOS-363cfb78-3
0.404
SAD-SAT-f25ee457-7
0.404
ALE-HEI-f28a35b5-4
0.403
MAK-UNK-d1e89583-2
0.403
BAR-COM-5694a99d-2
0.402
DAR-DIA-0cde14eb-9
0.402
MAK-UNK-10dfa458-31
0.402
DAR-DIA-0cde14eb-67
0.400
SAD-SAT-cefd50cc-1
0.400
MAK-UNK-129dcd6f-3
0.400
BAR-COM-5694a99d-5
0.398
HUB-UNK-9845d277-14
0.393
MAK-UNK-10dfa458-24
0.393
IAN-BAS-df1706d7-1
0.393
WAR-XCH-eb7b662f-5
0.392
DAR-DIA-842b4336-1
0.392
JOR-UNI-61e7b1d5-1
0.391
DAR-DIA-0cde14eb-65
0.388
DAR-DIA-0cde14eb-68
0.388
SAD-SAT-689b7d5a-8
0.388
MAK-UNK-6435e6c2-8
0.388
AAR-POS-d2a4d1df-3
0.388
SAD-SAT-cefd50cc-10
0.386
MAK-UNK-129dcd6f-2
0.386
GAB-REV-70cc3ca5-13
0.386
LON-WEI-5e7d1b3e-22
0.385
LON-WEI-4d77710c-22
0.385
DAR-DIA-0cde14eb-66
0.384
MAK-UNK-30aad1f1-1
0.383
BAR-COM-5694a99d-1
0.382
MAK-UNK-f203cb68-15
0.382
DAR-DIA-23aa0b97-15
0.382
DAR-DIA-842b4336-2
0.382
DAR-DIA-842b4336-7
0.380
ALE-HEI-f28a35b5-2
0.380
WIL-UNI-5578df48-21
0.380
SIM-DEM-f31d0e65-1
0.379
MAT-POS-590ac91e-2
0.378
ERI-UCB-5b47150d-1
0.378
MAT-POS-590ac91e-1
0.378
ASH-SAT-43770c7d-9
0.378
MAT-POS-5d20d11c-1
0.377
MAT-POS-590ac91e-16
0.377
DAR-DIA-23aa0b97-14
0.377
WAR-XCH-eb7b662f-7
0.377
JOR-UNI-2fc98d0b-7
0.377
JAN-GHE-83b26c96-19
0.377
JOR-UNI-61e7b1d5-2
0.375
DAR-DIA-23aa0b97-5
0.375
WAR-XCH-eb7b662f-1
0.375
ANN-UNI-26382800-4
0.375
CHR-SOS-6c45c019-11
0.375
SAM-UNK-2684b532-8
0.374
CHR-SOS-363cfb78-4
0.371
MAK-UNK-f203cb68-17
0.371
SAD-SAT-689b7d5a-1
0.368
WAR-XCH-eb7b662f-3
0.368
BAR-COM-21d20d65-5
0.367
CHR-SOS-6c45c019-8
0.367
WIL-UNI-5578df48-19
0.365
MAK-UNK-d1e89583-1
0.364
PET-SGC-2e937068-1
0.364
ALE-HEI-f28a35b5-13
0.364
WAR-XCH-e55cba98-9
0.364
HUB-UNK-9845d277-4
0.364
MAT-POS-590ac91e-13
0.364