Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 |
| MW: | 334.2 |
| Fraction sp3: | 0.59 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 74.77 |
| cLogP: | 1.88 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
carbamate, T-boc Protected
carbamate include di-substitued N
BEN-DND-09b88bf4-6
0.750
BEN-DND-6de5dfa0-7
0.750
EDJ-MED-3c65e9ce-1
0.726
BEN-DND-93268d01-8
0.726
NIR-THE-b7e8e081-2
0.697
BEN-DND-6de5dfa0-16
0.697
NIR-THE-b7e8e081-1
0.682
BEN-DND-6de5dfa0-1
0.682
BEN-DND-09b88bf4-2
0.682
BEN-DND-03406596-7
0.682
BEN-DND-09b88bf4-5
0.667
BEN-DND-93268d01-9
0.667
BEN-DND-09b88bf4-7
0.632
BEN-DND-6de5dfa0-6
0.629
BEN-DND-09b88bf4-3
0.618
BEN-DND-6de5dfa0-3
0.618
NAU-LAT-3f5f3993-5
0.618
BEN-DND-09b88bf4-1
0.616
BEN-DND-6de5dfa0-2
0.616
BEN-DND-93268d01-11
0.615
BEN-DND-93268d01-10
0.606
ANU-UNK-2781581f-1
0.600
RED-SAT-26a928c9-1
0.600
EDJ-MED-3c65e9ce-4
0.588
BEN-DND-6de5dfa0-15
0.562
BEN-DND-6de5dfa0-5
0.549
BEN-DND-6de5dfa0-14
0.548
BEN-DND-6de5dfa0-4
0.521
BEN-DND-09b88bf4-4
0.521
BEN-DND-22e6b372-4
0.514
BEN-DND-22e6b372-1
0.513
BEN-DND-6de5dfa0-8
0.513
BEN-DND-6de5dfa0-20
0.500
BEN-DND-6de5dfa0-9
0.500
MAK-UNK-6ca90168-26
0.492
BEN-DND-6de5dfa0-21
0.480
BEN-DND-22e6b372-3
0.480
BEN-DND-6de5dfa0-19
0.479
ALE-HEI-f28a35b5-12
0.471
BEN-DND-22e6b372-2
0.468
EDJ-MED-3c65e9ce-2
0.468
JAN-GHE-83b26c96-11
0.457
MAT-POS-590ac91e-11
0.449
ASH-SAT-43770c7d-9
0.448
MAT-POS-590ac91e-9
0.444
BEN-DND-6de5dfa0-23
0.444
BEN-DND-6de5dfa0-13
0.440
BEN-DND-93268d01-12
0.440
ALE-HEI-f28a35b5-17
0.437
SCO-VAN-260d9628-1
0.437
MAT-POS-590ac91e-10
0.432
EDJ-MED-c9f55a56-1
0.432
EDJ-MED-3c65e9ce-3
0.432
MAT-POS-590ac91e-6
0.431
PET-SGC-fedd1f79-1
0.430
BAR-COM-0f94fc3d-41
0.427
MAT-POS-590ac91e-7
0.425
BAR-COM-0f94fc3d-18
0.422
BEN-DND-93268d01-13
0.421
AAR-POS-d2a4d1df-3
0.419
MAK-UNK-6435e6c2-8
0.419
GAB-REV-70cc3ca5-21
0.419
ALE-HEI-f28a35b5-6
0.419
TRY-UNI-714a760b-10
0.419
MAT-POS-590ac91e-23
0.419
EDG-MED-0da5ad92-4
0.419
TRY-UNI-714a760b-5
0.417
DAR-DIA-0cde14eb-63
0.415
MAT-POS-590ac91e-24
0.413
BEN-DND-6de5dfa0-24
0.413
PET-SGC-6e7c5dc0-1
0.411
MAT-POS-590ac91e-15
0.408
MAT-POS-590ac91e-17
0.408
BEN-DND-6de5dfa0-10
0.408
SAD-SAT-7d5528d9-1
0.407
BEN-DND-93268d01-7
0.405
ALP-POS-95b75b4d-2
0.403
ANN-UNI-98d2bf15-5
0.402
MIH-UNI-6b9ca91a-1
0.400
ALE-HEI-f28a35b5-3
0.400
VLA-UCB-00f2c2b3-2
0.398
JAN-GHE-83b26c96-12
0.397
MAK-UNK-372b0df5-3
0.397
BAR-COM-0f94fc3d-48
0.396
ALE-HEI-f28a35b5-10
0.395
BEN-DND-6de5dfa0-22
0.395
MAK-UNK-7264f48c-3
0.393
EDG-MED-0da5ad92-9
0.392
GAB-REV-70cc3ca5-13
0.392
SIM-DEM-2d7ee9fd-1
0.391
GAB-REV-70cc3ca5-3
0.390
DAR-DIA-0cde14eb-79
0.390
ANN-UNI-98d2bf15-1
0.390
TRY-UNI-2eddb1ff-2
0.390
EDG-MED-0da5ad92-8
0.390
JOH-UNI-abfda500-6
0.390
ALE-HEI-f28a35b5-13
0.389
MAK-UNK-902cc841-15
0.388
MAK-UNK-6ca90168-27
0.388
MAT-POS-590ac91e-25
0.388