Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)Cc1cccc2c1CNCC2 |
| MW: | 281.15 |
| Fraction sp3: | 0.29 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.02 |
| cLogP: | 2.22 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-3
0.588
JOH-UNI-abfda500-6
0.487
ANN-UNI-98d2bf15-1
0.487
THO-SYG-cc9e9a11-2
0.464
TRY-UNI-714a760b-5
0.459
ALP-POS-95b75b4d-4
0.458
ALP-POS-95b75b4d-1
0.456
ASH-SAT-43770c7d-9
0.451
JAN-GHE-83b26c96-13
0.443
TRY-UNI-714a760b-6
0.443
EDJ-MED-e58735b6-2
0.443
ALP-POS-95b75b4d-2
0.443
ALE-HEI-f28a35b5-3
0.442
DAR-DIA-0cde14eb-1
0.440
JAN-GHE-83b26c96-11
0.440
ANN-UNI-98d2bf15-2
0.439
JAN-GHE-83b26c96-12
0.438
EDJ-MED-c9f55a56-1
0.436
THO-SYG-cc9e9a11-1
0.435
TRY-UNI-714a760b-20
0.434
ALE-HEI-f28a35b5-12
0.432
DAR-DIA-0cde14eb-4
0.430
DAR-DIA-0cde14eb-78
0.429
EDJ-MED-e58735b6-3
0.429
MAK-UNK-6ca90168-26
0.429
EDJ-MED-e58735b6-1
0.427
BEN-DND-6de5dfa0-4
0.427
BEN-DND-09b88bf4-4
0.427
ANN-UNI-98d2bf15-5
0.424
MIH-UNI-6b9ca91a-1
0.423
SAM-UNK-2684b532-9
0.422
TRY-UNI-2eddb1ff-1
0.422
JAN-GHE-83b26c96-14
0.422
ALP-POS-95b75b4d-3
0.422
DAR-DIA-0cde14eb-76
0.422
EDJ-MED-e58735b6-4
0.420
DAR-DIA-0cde14eb-2
0.419
GAB-REV-70cc3ca5-9
0.419
WIL-MOD-03b86a88-2
0.416
MAT-POS-590ac91e-6
0.416
EDG-MED-0da5ad92-9
0.415
DAR-DIA-0cde14eb-3
0.414
DAR-DIA-0cde14eb-77
0.414
RAL-THA-6b94ceba-5
0.414
GAB-REV-70cc3ca5-23
0.414
TRY-UNI-2eddb1ff-2
0.412
EDG-MED-0da5ad92-8
0.412
DAR-DIA-0cde14eb-79
0.412
RAL-THA-6b94ceba-6
0.412
BAR-COM-0f94fc3d-28
0.411
SAD-SAT-7d5528d9-1
0.411
MAT-POS-590ac91e-7
0.410
BEN-DND-93268d01-7
0.410
TRY-UNI-1fd04853-1
0.409
PET-SGC-175e168c-1
0.409
RAL-THA-6b94ceba-12
0.409
GAB-REV-70cc3ca5-20
0.407
DAR-DIA-0cde14eb-64
0.407
BRU-LEF-c49414a7-1
0.407
RAL-THA-901e9a10-7
0.407
RAM-SYN-2a37ce6c-3
0.406
BEN-DND-93268d01-9
0.405
BEN-DND-93268d01-11
0.405
BEN-DND-09b88bf4-5
0.405
NAU-LAT-0543f7f2-7
0.404
RAL-THA-6b94ceba-8
0.404
THO-SYG-cc9e9a11-4
0.404
RAL-THA-6b94ceba-7
0.402
ENA-ENA-cf881d10-1
0.402
ALE-HEI-f28a35b5-10
0.400
NAU-LAT-30527ac5-2
0.400
MAK-UNK-f203cb68-4
0.400
RAL-THA-6b94ceba-9
0.400
DAR-DIA-0cde14eb-14
0.400
BEN-DND-93268d01-6
0.400
MAT-POS-590ac91e-24
0.400
MAT-POS-590ac91e-10
0.400
BEN-DND-93268d01-10
0.400
RAL-THA-901e9a10-1
0.398
RAL-THA-6b94ceba-15
0.398
PET-SGC-6e7c5dc0-1
0.397
MAT-POS-e501d84c-1
0.396
BEN-DND-93268d01-12
0.396
BEN-DND-6de5dfa0-13
0.396
RAL-THA-6b94ceba-11
0.396
MAT-POS-c9973a83-1
0.395
EDJ-MED-3c65e9ce-1
0.395
BEN-DND-93268d01-8
0.395
MAT-POS-590ac91e-17
0.395
MAT-POS-590ac91e-11
0.395
NAU-LAT-0543f7f2-8
0.394
RAL-THA-6b94ceba-14
0.393
RAL-THA-6b94ceba-16
0.393
GAB-REV-70cc3ca5-11
0.393
WIL-MOD-03b86a88-5
0.393
MAT-POS-590ac91e-9
0.392
DAR-DIA-0cde14eb-61
0.391
BEN-DND-93268d01-5
0.390
ALE-HEI-f28a35b5-1
0.390
TRY-UNI-714a760b-4
0.390