Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1 |
| MW: | 317.15 |
| Fraction sp3: | 0.15 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 54.88 |
| cLogP: | 3.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
THO-SYG-cc9e9a11-5
0.686
THO-SYG-cc9e9a11-3
0.675
BEN-DND-93268d01-4
0.586
ANN-UNI-98d2bf15-1
0.580
JOH-UNI-abfda500-6
0.580
THO-SYG-cc9e9a11-2
0.566
SAM-UNK-2684b532-9
0.512
TRY-UNI-714a760b-5
0.507
BEN-DND-93268d01-7
0.487
THO-SYG-cc9e9a11-7
0.477
THO-SYG-cc9e9a11-4
0.471
MIH-UNI-6b9ca91a-1
0.466
JAN-GHE-83b26c96-11
0.465
MAT-POS-590ac91e-11
0.457
ASH-SAT-43770c7d-9
0.456
MAK-UNK-6ca90168-26
0.455
TRY-UNI-714a760b-6
0.447
JAN-GHE-83b26c96-13
0.447
ALP-POS-95b75b4d-2
0.447
EDJ-MED-e58735b6-2
0.447
ALE-HEI-f28a35b5-3
0.446
ALP-POS-95b75b4d-4
0.444
ANN-UNI-98d2bf15-2
0.443
ALP-POS-95b75b4d-1
0.442
JAN-GHE-83b26c96-12
0.442
EDJ-MED-c9f55a56-1
0.440
GAB-REV-70cc3ca5-9
0.439
MAT-POS-590ac91e-6
0.438
ALE-HEI-f28a35b5-12
0.437
ADA-UCB-6c2cb422-4
0.435
EDG-MED-0da5ad92-7
0.435
TRY-UNI-2eddb1ff-2
0.434
EDG-MED-0da5ad92-8
0.434
MAT-POS-590ac91e-7
0.432
EDJ-MED-e58735b6-1
0.430
GAB-REV-70cc3ca5-20
0.429
PET-SGC-175e168c-1
0.429
TRY-UNI-1fd04853-1
0.429
GAB-REV-70cc3ca5-11
0.429
ALP-POS-95b75b4d-3
0.425
JAN-GHE-83b26c96-14
0.425
DAR-DIA-0cde14eb-76
0.425
MAT-POS-590ac91e-24
0.421
TRY-UNI-714a760b-20
0.420
PET-SGC-6e7c5dc0-1
0.419
DAR-DIA-0cde14eb-77
0.417
EDJ-MED-e58735b6-3
0.415
DAR-DIA-0cde14eb-78
0.415
DAR-DIA-0cde14eb-79
0.415
NAU-LAT-0543f7f2-8
0.411
TRY-UNI-714a760b-4
0.411
ALE-HEI-f28a35b5-1
0.411
BEN-DND-93268d01-13
0.410
PET-SGC-2e937068-1
0.410
ANN-UNI-98d2bf15-5
0.410
DAR-DIA-0cde14eb-1
0.410
DAR-DIA-0cde14eb-64
0.410
TRY-UNI-2eddb1ff-1
0.407
EDJ-MED-e58735b6-4
0.407
MAK-UNK-6435e6c2-8
0.406
AAR-POS-d2a4d1df-3
0.406
RAL-THA-6b94ceba-7
0.405
DAR-DIA-0cde14eb-2
0.405
ALE-HEI-f28a35b5-10
0.403
MAT-POS-590ac91e-10
0.403
NAU-LAT-30527ac5-2
0.402
MAK-UNK-f203cb68-4
0.402
GAB-REV-70cc3ca5-23
0.400
GAB-REV-70cc3ca5-13
0.400
RAL-THA-6b94ceba-5
0.400
BEN-DND-6de5dfa0-5
0.400
DAR-DIA-0cde14eb-3
0.400
DAR-DIA-0cde14eb-4
0.400
RAL-THA-6b94ceba-6
0.398
MAT-POS-c9973a83-1
0.398
MAT-POS-590ac91e-15
0.397
EDJ-MED-3c65e9ce-1
0.397
BEN-DND-93268d01-8
0.397
MAT-POS-590ac91e-17
0.397
ALE-HEI-f28a35b5-13
0.397
GAB-REV-70cc3ca5-4
0.395
CHR-SOS-6c45c019-10
0.395
RAL-THA-6b94ceba-12
0.395
RAL-THA-6b94ceba-14
0.395
RAL-THA-6b94ceba-16
0.395
GAB-REV-70cc3ca5-18
0.395
MAT-POS-590ac91e-9
0.395
RAM-SYN-2a37ce6c-3
0.394
DAR-DIA-0cde14eb-61
0.393
BEN-DND-93268d01-5
0.392
BEN-DND-93268d01-14
0.392
MAT-POS-5d20d11c-1
0.392
MAT-POS-590ac91e-16
0.392
NAU-LAT-0543f7f2-7
0.391
PET-SGC-83d43576-1
0.391
RAL-THA-6b94ceba-8
0.391
ALP-POS-f13221e1-4
0.390
GAB-REV-70cc3ca5-21
0.390
TRY-UNI-714a760b-10
0.390
BEN-DND-93268d01-9
0.390