Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1 |
| MW: | 281.315 |
| Fraction sp3: | 0.19 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 68.02 |
| cLogP: | 3.02084 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-11
0.551
TRY-UNI-714a760b-5
0.500
JAN-GHE-83b26c96-11
0.479
ALP-POS-95b75b4d-1
0.474
JAN-GHE-83b26c96-12
0.474
MAT-POS-590ac91e-24
0.473
JAN-GHE-83b26c96-13
0.461
TRY-UNI-714a760b-6
0.461
ALP-POS-95b75b4d-2
0.461
GAB-REV-70cc3ca5-20
0.461
EDJ-MED-e58735b6-2
0.461
ANN-UNI-98d2bf15-2
0.456
GAB-REV-70cc3ca5-9
0.451
MAK-UNK-6ca90168-26
0.448
ANN-UNI-98d2bf15-1
0.447
JOH-UNI-abfda500-6
0.447
EDJ-MED-e58735b6-3
0.444
DAR-DIA-0cde14eb-78
0.444
EDJ-MED-e58735b6-1
0.443
SAD-SAT-7d5528d9-1
0.442
ALE-HEI-f28a35b5-3
0.440
MIH-UNI-6b9ca91a-1
0.440
DAR-DIA-0cde14eb-1
0.439
ALP-POS-95b75b4d-3
0.438
JAN-GHE-83b26c96-14
0.438
DAR-DIA-0cde14eb-76
0.438
EDJ-MED-c9f55a56-1
0.434
DAR-DIA-0cde14eb-2
0.434
MAT-POS-590ac91e-6
0.432
TRY-UNI-714a760b-20
0.432
ALE-HEI-f28a35b5-12
0.431
THO-SYG-cc9e9a11-2
0.429
TRY-UNI-2eddb1ff-2
0.429
EDG-MED-0da5ad92-8
0.429
ASH-SAT-43770c7d-9
0.429
DAR-DIA-0cde14eb-3
0.429
DAR-DIA-0cde14eb-4
0.429
GAB-REV-70cc3ca5-22
0.427
DAR-DIA-0cde14eb-79
0.427
GAB-REV-70cc3ca5-4
0.424
GAB-REV-70cc3ca5-15
0.424
ALP-POS-95b75b4d-4
0.422
ANN-UNI-98d2bf15-5
0.422
ALP-POS-f13221e1-4
0.420
DAR-DIA-0cde14eb-62
0.417
BEN-DND-93268d01-6
0.415
ADA-UCB-6c2cb422-4
0.414
DAR-DIA-0cde14eb-14
0.414
PET-SGC-6e7c5dc0-1
0.413
RAL-THA-6b94ceba-5
0.412
VLA-UCB-00f2c2b3-1
0.412
RAL-THA-6b94ceba-15
0.412
DAR-DIA-0cde14eb-77
0.412
MAT-POS-590ac91e-11
0.411
RAL-THA-6b94ceba-6
0.410
BAR-COM-0f94fc3d-28
0.409
MAT-POS-590ac91e-9
0.408
BEN-DND-93268d01-7
0.407
BEN-DND-93268d01-5
0.405
DAR-DIA-0cde14eb-61
0.405
DAR-DIA-0cde14eb-64
0.405
TRY-UNI-714a760b-10
0.403
EDG-MED-0da5ad92-4
0.403
MAT-POS-590ac91e-23
0.403
ALE-HEI-f28a35b5-6
0.403
TRY-UNI-2eddb1ff-1
0.402
RAL-THA-6b94ceba-8
0.402
EDJ-MED-e58735b6-4
0.402
VLA-UCB-00f2c2b3-2
0.400
DAR-DIA-0cde14eb-63
0.400
BEN-DND-93268d01-4
0.400
THO-SYG-cc9e9a11-1
0.400
AAR-POS-d2a4d1df-3
0.400
MAK-UNK-6435e6c2-8
0.400
NAU-LAT-30527ac5-2
0.398
ALE-HEI-f28a35b5-10
0.397
BEN-DND-93268d01-10
0.397
MAT-POS-590ac91e-10
0.397
GAB-REV-70cc3ca5-13
0.395
MAT-POS-e501d84c-1
0.393
MAT-POS-c9973a83-1
0.393
MAT-POS-590ac91e-15
0.392
MAT-POS-590ac91e-17
0.392
RAL-THA-6b94ceba-12
0.391
RAL-THA-6b94ceba-16
0.391
GAB-REV-70cc3ca5-18
0.391
MAT-POS-590ac91e-25
0.390
MAT-POS-590ac91e-7
0.390
BRU-LEF-c49414a7-1
0.389
RAL-THA-901e9a10-7
0.389
BEN-DND-93268d01-13
0.388
EDJ-MED-3c65e9ce-4
0.388
DAR-DIA-23e5a6a0-29
0.387
NAU-LAT-0543f7f2-7
0.386
PET-SGC-83d43576-1
0.386
DAR-DIA-0cde14eb-74
0.386
DAR-DIA-23e5a6a0-26
0.385
NAU-LAT-0543f7f2-5
0.385
BEN-DND-93268d01-9
0.385
BEN-DND-09b88bf4-5
0.385