Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)c1ncccc1NC(=O)Nc1ccccc1 |
| MW: | 347.378 |
| Fraction sp3: | 0.05 |
| HBA: | 4 |
| HBD: | 3 |
| Rotatable Bonds: | 4 |
| TPSA: | 96.01 |
| cLogP: | 3.68132 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
ALE-HEI-f28a35b5-1
0.646
TRY-UNI-714a760b-4
0.646
MAK-UNK-129dcd6f-15
0.592
MAK-UNK-129dcd6f-17
0.564
MAK-UNK-129dcd6f-16
0.531
MAK-UNK-129dcd6f-4
0.471
MAK-UNK-129dcd6f-12
0.458
WIL-UNI-5578df48-12
0.456
WIL-UNI-5578df48-10
0.455
MAK-UNK-129dcd6f-1
0.453
MAK-UNK-129dcd6f-6
0.436
SID-ELM-8b394441-1
0.432
SID-ELM-8b394441-3
0.432
JAG-UCB-cedd89ab-8
0.430
TRY-UNI-714a760b-12
0.430
ABI-SAT-4d06482b-1
0.423
HAN-NEW-5f56c3bc-1
0.421
WIL-UNI-5578df48-11
0.420
MAK-UNK-129dcd6f-9
0.414
DAR-DIA-0cde14eb-5
0.412
AHN-SAT-202241f6-1
0.410
TRY-UNI-714a760b-17
0.410
TRY-UNI-714a760b-24
0.410
TRY-UNI-714a760b-5
0.403
SID-ELM-2583a2cd-11
0.402
SAM-UNK-2684b532-8
0.400
MAK-UNK-30aad1f1-15
0.400
BEN-DND-93268d01-3
0.400
SID-ELM-2583a2cd-20
0.398
TRY-UNI-714a760b-8
0.397
ALE-HEI-f28a35b5-2
0.392
DAR-DIA-0cde14eb-6
0.391
DAR-DIA-0cde14eb-7
0.391
DAR-DIA-0cde14eb-8
0.391
BEN-DND-93268d01-14
0.390
AAR-POS-d2a4d1df-11
0.389
CHR-SOS-1f323c23-10
0.388
RED-SAT-26a928c9-1
0.385
ANU-UNK-2781581f-1
0.385
MAK-UNK-6435e6c2-8
0.382
AAR-POS-d2a4d1df-3
0.382
DAR-DIA-0cde14eb-9
0.382
BEN-DND-93268d01-2
0.381
CHR-SOS-363cfb78-2
0.381
CHR-SOS-1f323c23-7
0.379
SIM-DEM-f31d0e65-1
0.375
TRY-UNI-714a760b-11
0.375
MAK-UNK-6ca90168-27
0.375
DRE-WAB-eb790b7a-1
0.375
PED-UNI-5b7f1100-1
0.375
PED-UNI-8d53fd73-1
0.375
CHR-SOS-1f323c23-4
0.375
WIL-UNI-5578df48-9
0.375
DAN-RED-da448e80-1
0.375
ALE-HEI-f28a35b5-7
0.375
WIL-UNI-5578df48-13
0.374
BEN-DND-93268d01-13
0.373
ERI-UCB-5b47150d-1
0.373
MAT-POS-590ac91e-2
0.373
MAT-POS-590ac91e-1
0.373
ASH-SAT-43770c7d-9
0.373
MAT-POS-590ac91e-16
0.372
MAT-POS-5d20d11c-1
0.372
DAR-DIA-03336633-1
0.371
HAN-NEW-5f56c3bc-3
0.371
MAK-UNK-129dcd6f-8
0.371
ALE-HEI-f28a35b5-3
0.370
SID-ELM-2583a2cd-22
0.369
MAK-UNK-30aad1f1-4
0.368
DAR-DIA-0cde14eb-65
0.368
DAR-DIA-0cde14eb-68
0.368
CHR-SOS-1f323c23-1
0.367
GAB-REV-70cc3ca5-13
0.365
DAR-DIA-0cde14eb-67
0.364
WAR-XCH-b0339bbe-9
0.364
DAR-DIA-0cde14eb-66
0.364
GAB-REV-70cc3ca5-11
0.363
MAK-UNK-f203cb68-14
0.363
SAM-UNK-2684b532-10
0.362
JOH-UNI-abfda500-6
0.361
ANN-UNI-98d2bf15-1
0.361
MAK-UNK-f203cb68-20
0.360
ALE-HEI-f28a35b5-13
0.359
MAT-POS-590ac91e-13
0.359
CHR-SOS-363cfb78-7
0.359
MAT-POS-590ac91e-5
0.358
THO-SYG-cc9e9a11-1
0.356
DAR-DIA-0cde14eb-69
0.356
MAK-UNK-30aad1f1-9
0.355
BEN-DND-93268d01-4
0.353
SID-ELM-2583a2cd-17
0.353
MAK-UNK-129dcd6f-7
0.352
THO-SYG-cc9e9a11-2
0.352
MAK-UNK-f203cb68-16
0.352
SAM-UNK-2684b532-1
0.352
MAK-UNK-6ca90168-26
0.351
SID-ELM-b654bfa2-2
0.349
SID-ELM-8b394441-6
0.349
LON-WEI-af038623-7
0.349
SID-ELM-2583a2cd-9
0.349