Molecule Details
| Molecular Properties | |
| SMILES: | CCOC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1 |
| MW: | 306.17 |
| Fraction sp3: | 0.53 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 74.77 |
| cLogP: | 1.1 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
carbamate include di-substitued N
BEN-DND-6de5dfa0-7
1.000
EDJ-MED-3c65e9ce-1
0.750
BEN-DND-93268d01-8
0.750
BEN-DND-09b88bf4-8
0.750
BEN-DND-03406596-7
0.730
BEN-DND-6de5dfa0-1
0.730
BEN-DND-09b88bf4-2
0.730
NIR-THE-b7e8e081-1
0.730
BEN-DND-09b88bf4-7
0.718
NIR-THE-b7e8e081-2
0.692
BEN-DND-6de5dfa0-16
0.692
BEN-DND-09b88bf4-5
0.689
BEN-DND-93268d01-9
0.689
BEN-DND-6de5dfa0-6
0.647
BEN-DND-09b88bf4-3
0.636
BEN-DND-6de5dfa0-3
0.636
NAU-LAT-3f5f3993-5
0.636
BEN-DND-93268d01-11
0.635
BEN-DND-6de5dfa0-2
0.634
BEN-DND-09b88bf4-1
0.634
BEN-DND-93268d01-10
0.625
ANU-UNK-2781581f-1
0.616
RED-SAT-26a928c9-1
0.616
EDJ-MED-3c65e9ce-4
0.606
BEN-DND-6de5dfa0-5
0.565
BEN-DND-6de5dfa0-14
0.563
BEN-DND-6de5dfa0-15
0.556
BEN-DND-6de5dfa0-4
0.535
BEN-DND-09b88bf4-4
0.535
BEN-DND-22e6b372-1
0.527
BEN-DND-6de5dfa0-9
0.513
MAK-UNK-6ca90168-26
0.508
BEN-DND-22e6b372-4
0.507
BEN-DND-6de5dfa0-8
0.506
BEN-DND-6de5dfa0-21
0.493
BEN-DND-22e6b372-3
0.493
BEN-DND-6de5dfa0-19
0.493
ALE-HEI-f28a35b5-12
0.485
EDJ-MED-3c65e9ce-2
0.480
BEN-DND-22e6b372-2
0.480
BEN-DND-6de5dfa0-20
0.473
PET-SGC-fedd1f79-1
0.472
JAN-GHE-83b26c96-11
0.471
MAT-POS-590ac91e-10
0.465
PET-SGC-6e7c5dc0-1
0.464
ASH-SAT-43770c7d-9
0.462
MAT-POS-590ac91e-9
0.457
BEN-DND-6de5dfa0-23
0.457
SCO-VAN-260d9628-1
0.449
ALE-HEI-f28a35b5-17
0.449
EDJ-MED-c9f55a56-1
0.444
ALE-HEI-f28a35b5-10
0.444
EDJ-MED-3c65e9ce-3
0.443
MAT-POS-590ac91e-6
0.443
MAT-POS-590ac91e-11
0.441
MAT-POS-590ac91e-17
0.438
BAR-COM-0f94fc3d-41
0.438
MAT-POS-590ac91e-7
0.437
BEN-DND-6de5dfa0-13
0.434
BEN-DND-93268d01-12
0.434
AAR-POS-d2a4d1df-3
0.433
MAK-UNK-6435e6c2-8
0.433
BEN-DND-93268d01-13
0.432
BAR-COM-0f94fc3d-18
0.432
MAT-POS-590ac91e-23
0.431
TRY-UNI-714a760b-10
0.431
ALE-HEI-f28a35b5-6
0.431
EDG-MED-0da5ad92-4
0.431
TRY-UNI-714a760b-5
0.429
MAK-UNK-372b0df5-3
0.427
MAT-POS-590ac91e-24
0.425
BEN-DND-6de5dfa0-24
0.425
MAK-UNK-6ca90168-27
0.422
ANN-UNI-98d2bf15-1
0.419
MAT-POS-590ac91e-15
0.419
BEN-DND-6de5dfa0-10
0.419
MAT-POS-590ac91e-8
0.419
JOH-UNI-abfda500-6
0.419
GAB-REV-70cc3ca5-3
0.418
BEN-DND-93268d01-5
0.413
ALP-POS-95b75b4d-2
0.413
GAB-REV-70cc3ca5-20
0.413
SAM-UNK-2684b532-9
0.412
MIH-UNI-6b9ca91a-1
0.411
GAB-REV-70cc3ca5-21
0.411
ALE-HEI-f28a35b5-3
0.411
BEN-DND-93268d01-4
0.408
JAN-GHE-83b26c96-12
0.408
VLA-UCB-00f2c2b3-2
0.407
DAR-DIA-0cde14eb-63
0.407
BEN-DND-6de5dfa0-22
0.405
EDG-MED-0da5ad92-9
0.403
GAB-REV-70cc3ca5-13
0.403
MAK-UNK-7264f48c-3
0.402
EDG-MED-0da5ad92-8
0.400
SAD-SAT-7d5528d9-1
0.400
SIM-DEM-2d7ee9fd-1
0.400
TRY-UNI-2eddb1ff-2
0.400
MAK-UNK-902cc841-15
0.398
EDJ-MED-e58735b6-1
0.397