Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)c1cncc(NC(=O)Nc2ccccc2)c1 |
| MW: | 347.378 |
| Fraction sp3: | 0.05 |
| HBA: | 4 |
| HBD: | 3 |
| Rotatable Bonds: | 4 |
| TPSA: | 96.01 |
| cLogP: | 3.68132 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
TRY-UNI-714a760b-4
0.615
ALE-HEI-f28a35b5-1
0.615
MAK-UNK-129dcd6f-17
0.579
MAK-UNK-129dcd6f-15
0.566
MAK-UNK-129dcd6f-12
0.566
MAK-UNK-129dcd6f-9
0.532
MAK-UNK-129dcd6f-18
0.531
CHR-SOS-363cfb78-2
0.462
MAK-UNK-129dcd6f-7
0.458
SID-ELM-2583a2cd-5
0.457
SID-ELM-2583a2cd-6
0.451
SID-ELM-2583a2cd-7
0.438
TRY-UNI-714a760b-5
0.432
MAK-UNK-129dcd6f-4
0.430
TRY-UNI-714a760b-12
0.423
JAG-UCB-cedd89ab-8
0.423
AAR-POS-d2a4d1df-11
0.420
TRY-UNI-714a760b-24
0.420
BEN-DND-93268d01-13
0.418
DAR-DIA-0cde14eb-6
0.417
MAK-UNK-129dcd6f-6
0.410
WIL-UNI-5578df48-10
0.410
ANU-UNK-2781581f-1
0.409
RED-SAT-26a928c9-1
0.409
MAK-UNK-37f1d6fa-3
0.408
ASH-SAT-43770c7d-9
0.403
AHN-SAT-202241f6-1
0.403
TRY-UNI-714a760b-17
0.403
MAK-UNK-129dcd6f-8
0.395
AAR-POS-d2a4d1df-3
0.394
MAK-UNK-6435e6c2-8
0.394
MAK-UNK-f203cb68-16
0.391
TRY-UNI-714a760b-8
0.390
DAR-DIA-0cde14eb-5
0.388
DAR-DIA-0cde14eb-7
0.384
DAR-DIA-0cde14eb-8
0.384
JAN-GHE-83b26c96-13
0.383
WIL-UNI-5578df48-13
0.382
CHR-SOS-363cfb78-7
0.382
ANN-UNI-98d2bf15-2
0.381
MAK-UNK-6ca90168-26
0.380
ABI-SAT-4d06482b-1
0.380
ALE-HEI-f28a35b5-3
0.380
JAN-GHE-83b26c96-12
0.378
WIL-UNI-5578df48-11
0.378
WIL-UNI-5578df48-12
0.378
HAN-NEW-5f56c3bc-1
0.377
JAN-GHE-83b26c96-11
0.377
MAT-POS-590ac91e-26
0.375
DAR-DIA-0cde14eb-9
0.375
BEN-DND-93268d01-3
0.375
BEN-DND-6de5dfa0-2
0.371
BEN-DND-09b88bf4-1
0.371
TRY-UNI-2eddb1ff-2
0.370
EDG-MED-0da5ad92-8
0.370
ANN-UNI-98d2bf15-1
0.370
JOH-UNI-abfda500-6
0.370
BEN-DND-93268d01-7
0.369
WIL-UNI-5578df48-9
0.368
ALE-HEI-f28a35b5-2
0.367
MAK-UNK-6ca90168-27
0.366
BEN-DND-93268d01-14
0.366
TRY-UNI-714a760b-6
0.366
MAK-UNK-6ca90168-24
0.366
EDJ-MED-e58735b6-2
0.366
ALP-POS-95b75b4d-2
0.366
JAN-GHE-83b26c96-14
0.365
ALP-POS-95b75b4d-3
0.365
DAR-DIA-0cde14eb-76
0.365
JAN-GHE-83b26c96-23
0.365
CHR-SOS-1f323c23-10
0.365
SAM-UNK-2684b532-2
0.364
GAB-REV-70cc3ca5-21
0.362
ALP-POS-95b75b4d-1
0.361
SID-ELM-2583a2cd-22
0.361
SID-ELM-2583a2cd-11
0.361
MAK-UNK-10dfa458-31
0.360
DAR-DIA-0cde14eb-3
0.360
EDJ-MED-c9f55a56-1
0.358
SID-ELM-2583a2cd-20
0.357
GAB-REV-70cc3ca5-13
0.357
BEN-DND-93268d01-2
0.357
DAR-DIA-0cde14eb-78
0.356
EDJ-MED-e58735b6-3
0.356
DAR-DIA-0cde14eb-79
0.356
CHR-SOS-1f323c23-7
0.356
RAL-THA-6b94ceba-6
0.356
ERI-UCB-5b47150d-4
0.355
MAT-POS-590ac91e-6
0.354
MAT-POS-590ac91e-18
0.354
EDJ-MED-e58735b6-1
0.353
CHR-SOS-1f323c23-4
0.352
PED-UNI-5b7f1100-1
0.352
PED-UNI-8d53fd73-1
0.352
PET-SGC-2e937068-1
0.352
DRE-WAB-eb790b7a-1
0.352
DAN-RED-da448e80-1
0.352
SIM-DEM-f31d0e65-1
0.352
ALP-POS-95b75b4d-4
0.352
MAK-UNK-129dcd6f-1
0.352