Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)Cc1ccccc1CN1CCC(O)CC1 |
| MW: | 339.19 |
| Fraction sp3: | 0.4 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 65.46 |
| cLogP: | 2.53 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
TRY-UNI-9f475305-1
0.663
SAM-UNK-2684b532-8
0.641
ANN-UNI-98d2bf15-1
0.513
JOH-UNI-abfda500-6
0.513
THO-SYG-cc9e9a11-1
0.512
SAM-UNK-2684b532-10
0.494
ALP-POS-90c18d1d-1
0.477
THO-SYG-cc9e9a11-2
0.471
EDJ-MED-3c65e9ce-4
0.468
DOU-UNK-b5326f8f-18
0.467
TRY-UNI-714a760b-5
0.467
SAD-SAT-7d5528d9-1
0.466
ALP-POS-95b75b4d-4
0.464
SEB-EST-28768d06-1
0.441
BEN-DND-6de5dfa0-14
0.440
BEN-DND-6de5dfa0-5
0.439
BEN-DND-93268d01-8
0.438
EDJ-MED-3c65e9ce-1
0.438
MAT-POS-590ac91e-7
0.436
BEN-DND-6de5dfa0-15
0.435
ASH-UNK-40b46b30-8
0.435
BEN-DND-6de5dfa0-4
0.434
BEN-DND-93268d01-7
0.434
BEN-DND-09b88bf4-4
0.434
BEN-DND-09b88bf4-5
0.430
BEN-DND-93268d01-9
0.430
BEN-DND-93268d01-11
0.430
JAN-GHE-83b26c96-11
0.429
PET-SGC-a8a902d9-1
0.426
BEN-DND-93268d01-10
0.425
MAT-POS-590ac91e-10
0.425
ADA-UCB-6c2cb422-4
0.422
ALE-HEI-f28a35b5-12
0.421
ASH-SAT-43770c7d-9
0.419
BEN-DND-6de5dfa0-13
0.418
BEN-DND-93268d01-12
0.418
MAK-UNK-6ca90168-26
0.417
TRY-UNI-714a760b-6
0.415
EDJ-MED-e58735b6-2
0.415
ALP-POS-95b75b4d-2
0.415
JAN-GHE-83b26c96-13
0.415
DAR-DIA-0cde14eb-61
0.414
DAR-DIA-0cde14eb-64
0.414
MIH-UNI-6b9ca91a-1
0.412
ALE-HEI-f28a35b5-3
0.412
TRY-UNI-714a760b-10
0.412
ALE-HEI-f28a35b5-6
0.412
EDG-MED-0da5ad92-4
0.412
NIR-THE-b7e8e081-2
0.412
BEN-DND-09b88bf4-6
0.412
BEN-DND-6de5dfa0-7
0.412
BEN-DND-6de5dfa0-16
0.412
BEN-DND-93268d01-4
0.410
ALP-POS-95b75b4d-1
0.410
JAN-GHE-83b26c96-12
0.410
BEN-DND-22e6b372-4
0.410
GAB-REV-70cc3ca5-9
0.409
DAR-DIA-0cde14eb-63
0.409
MAT-POS-590ac91e-24
0.407
EDJ-MED-c9f55a56-1
0.407
BEN-DND-22e6b372-2
0.407
ANU-UNK-2781581f-1
0.407
RED-SAT-26a928c9-1
0.407
MAT-POS-590ac91e-6
0.405
BEN-DND-09b88bf4-3
0.405
BEN-DND-6de5dfa0-3
0.405
NAU-LAT-3f5f3993-5
0.405
DAR-DIA-0cde14eb-3
0.404
SAD-SAT-7d5528d9-7
0.404
EDG-MED-0da5ad92-8
0.402
TRY-UNI-2eddb1ff-2
0.402
BEN-DND-6de5dfa0-6
0.402
DAR-DIA-0cde14eb-79
0.402
MIH-UNI-6b9ca91a-2
0.402
EDJ-MED-e58735b6-1
0.400
BEN-DND-03406596-7
0.400
BEN-DND-6de5dfa0-2
0.400
BEN-DND-6de5dfa0-1
0.400
BEN-DND-09b88bf4-2
0.400
BEN-DND-09b88bf4-1
0.400
BEN-DND-22e6b372-3
0.400
NIR-THE-b7e8e081-1
0.400
GAB-REV-70cc3ca5-11
0.400
TRY-UNI-9f475305-2
0.400
RAM-SYN-2a37ce6c-3
0.398
BRU-LEF-c49414a7-1
0.398
RAL-THA-901e9a10-7
0.398
BEN-DND-22e6b372-1
0.398
DAR-DIA-0cde14eb-1
0.398
GAB-REV-70cc3ca5-20
0.398
THO-SYG-cc9e9a11-4
0.396
NAU-LAT-3f5f3993-1
0.396
JAN-GHE-83b26c96-14
0.395
ALP-POS-95b75b4d-3
0.395
ANN-UNI-98d2bf15-2
0.395
DAR-DIA-0cde14eb-76
0.395
MAT-POS-590ac91e-23
0.395
DAR-DIA-0cde14eb-2
0.393
DAR-DIA-0cde14eb-62
0.393
THO-SYG-cc9e9a11-3
0.392