Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cn1 |
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
0.635
TRY-UNI-714a760b-4
0.635
MAK-UNK-129dcd6f-15
0.581
MAK-UNK-129dcd6f-16
0.579
MAK-UNK-129dcd6f-18
0.564
MAK-UNK-129dcd6f-12
0.539
MAK-UNK-129dcd6f-8
0.494
MAK-UNK-129dcd6f-9
0.469
MAK-UNK-129dcd6f-4
0.458
AAR-POS-d2a4d1df-11
0.455
JAG-UCB-cedd89ab-8
0.434
TRY-UNI-714a760b-12
0.434
TRY-UNI-714a760b-5
0.425
MAK-UNK-129dcd6f-6
0.421
WIL-UNI-5578df48-10
0.421
ANU-UNK-2781581f-1
0.419
RED-SAT-26a928c9-1
0.419
AAR-POS-d2a4d1df-3
0.406
MAK-UNK-6435e6c2-8
0.406
HAN-NEW-5f56c3bc-1
0.405
WIL-UNI-5578df48-12
0.405
MAK-UNK-37f1d6fa-2
0.404
MAK-UNK-129dcd6f-7
0.400
TRY-UNI-714a760b-24
0.395
TRY-UNI-714a760b-17
0.395
AHN-SAT-202241f6-1
0.395
DAR-DIA-0cde14eb-6
0.393
BEN-DND-93268d01-13
0.392
MAK-UNK-6ca90168-26
0.391
CHR-SOS-1f323c23-10
0.390
MAR-TRE-67513f76-68
0.390
ABI-SAT-4d06482b-1
0.390
WIL-UNI-5578df48-11
0.388
MAK-UNK-f203cb68-21
0.387
BEN-DND-93268d01-3
0.385
MAK-UNK-30aad1f1-17
0.383
TRY-UNI-714a760b-8
0.382
DAR-DIA-0cde14eb-5
0.381
CHR-SOS-1f323c23-7
0.381
MAK-UNK-f203cb68-14
0.379
MAK-UNK-6ca90168-27
0.377
ALE-HEI-f28a35b5-2
0.377
DAR-DIA-0cde14eb-8
0.376
WIL-UNI-5578df48-9
0.376
CHR-SOS-1f323c23-4
0.376
DAR-DIA-0cde14eb-7
0.376
BEN-DND-93268d01-14
0.375
ASH-SAT-43770c7d-9
0.375
MAK-UNK-129dcd6f-1
0.375
SAM-UNK-2684b532-2
0.372
GAB-REV-70cc3ca5-21
0.372
ALE-HEI-f28a35b5-3
0.372
CHR-SOS-1f323c23-1
0.368
DAR-DIA-0cde14eb-9
0.368
MAT-POS-590ac91e-26
0.367
SID-ELM-b654bfa2-2
0.367
SID-ELM-8b394441-6
0.367
BEN-DND-93268d01-2
0.366
CHR-SOS-363cfb78-2
0.366
SID-ELM-2583a2cd-6
0.365
DAR-DIA-0cde14eb-78
0.365
DAR-DIA-0cde14eb-66
0.365
BEN-DND-09b88bf4-1
0.364
BEN-DND-6de5dfa0-2
0.364
MAK-UNK-30aad1f1-2
0.364
JOH-UNI-abfda500-6
0.362
ANN-UNI-98d2bf15-1
0.362
SIM-DEM-f31d0e65-1
0.360
PED-UNI-5b7f1100-1
0.360
PED-UNI-8d53fd73-1
0.360
DAN-RED-da448e80-1
0.360
DRE-WAB-eb790b7a-1
0.360
MAT-POS-590ac91e-11
0.360
ALE-HEI-f28a35b5-13
0.360
SID-ELM-8b394441-3
0.360
CHR-SOS-363cfb78-7
0.360
WIL-UNI-5578df48-13
0.360
TRY-UNI-714a760b-11
0.359
ALE-HEI-f28a35b5-7
0.359
TRY-UNI-714a760b-6
0.358
SID-ELM-8b394441-7
0.358
JAN-GHE-83b26c96-13
0.358
JAN-GHE-83b26c96-23
0.357
MAT-POS-590ac91e-2
0.356
MAT-POS-590ac91e-1
0.356
ERI-UCB-5b47150d-1
0.356
MAK-UNK-30aad1f1-15
0.356
SID-ELM-2583a2cd-7
0.355
DAR-DIA-6a508060-12
0.354
BEN-DND-93268d01-4
0.354
SID-ELM-2583a2cd-22
0.354
SID-ELM-2583a2cd-11
0.354
SID-ELM-2583a2cd-10
0.354
EDG-MED-0da5ad92-19
0.354
MAT-POS-f42f3716-8
0.354
DAR-DIA-0cde14eb-65
0.353
DAR-DIA-0cde14eb-68
0.353
SAD-SAT-cefd50cc-10
0.352
MAK-UNK-10dfa458-31
0.352
SAM-UNK-2684b532-1
0.352