Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 |
MW: | 368.18 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 74.77 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
carbamate, CBZ Protected
carbamate include di-substitued N
BEN-DND-09b88bf4-6
0.718
BEN-DND-6de5dfa0-7
0.718
BEN-DND-09b88bf4-8
0.632
BEN-DND-93268d01-8
0.625
EDJ-MED-3c65e9ce-1
0.625
BEN-DND-6de5dfa0-2
0.620
BEN-DND-09b88bf4-1
0.620
NIR-THE-b7e8e081-1
0.613
RED-SAT-26a928c9-1
0.605
ANU-UNK-2781581f-1
0.605
BEN-DND-09b88bf4-2
0.592
BEN-DND-03406596-7
0.592
BEN-DND-6de5dfa0-1
0.592
NIR-THE-b7e8e081-2
0.584
BEN-DND-6de5dfa0-16
0.584
BEN-DND-93268d01-9
0.575
BEN-DND-09b88bf4-5
0.575
BEN-DND-6de5dfa0-6
0.550
BEN-DND-93268d01-10
0.547
BEN-DND-6de5dfa0-3
0.538
BEN-DND-09b88bf4-3
0.538
NAU-LAT-3f5f3993-5
0.538
BEN-DND-93268d01-11
0.533
EDJ-MED-3c65e9ce-4
0.513
TRY-UNI-714a760b-5
0.493
BEN-DND-6de5dfa0-14
0.482
BEN-DND-6de5dfa0-5
0.481
BEN-DND-6de5dfa0-15
0.476
BEN-DND-09b88bf4-4
0.458
BEN-DND-6de5dfa0-4
0.458
BEN-DND-22e6b372-1
0.453
BEN-DND-22e6b372-4
0.451
EDJ-MED-3c65e9ce-3
0.448
BEN-DND-6de5dfa0-9
0.443
BEN-DND-22e6b372-3
0.440
BEN-DND-6de5dfa0-8
0.438
MAK-UNK-6ca90168-26
0.425
BEN-DND-6de5dfa0-21
0.424
ALP-POS-95b75b4d-2
0.422
BEN-DND-93268d01-14
0.422
BEN-DND-6de5dfa0-19
0.422
BEN-DND-93268d01-13
0.422
JAN-GHE-83b26c96-11
0.418
EDJ-MED-3c65e9ce-2
0.414
BEN-DND-22e6b372-2
0.414
MAT-POS-590ac91e-6
0.412
BEN-DND-6de5dfa0-13
0.409
BEN-DND-93268d01-12
0.409
MAT-POS-590ac91e-9
0.407
BEN-DND-6de5dfa0-20
0.407
TRY-UNI-714a760b-6
0.405
ALP-POS-90c18d1d-1
0.404
JAN-GHE-83b26c96-12
0.400
MAT-POS-590ac91e-10
0.398
GAB-REV-70cc3ca5-13
0.395
SAD-SAT-7d5528d9-1
0.394
ANN-UNI-98d2bf15-1
0.393
JOH-UNI-abfda500-6
0.393
ALE-HEI-f28a35b5-12
0.392
WAR-XCH-e55cba98-11
0.391
EDJ-MED-e58735b6-1
0.391
BEN-DND-6de5dfa0-23
0.390
ASH-SAT-43770c7d-9
0.390
ANN-UNI-98d2bf15-5
0.389
ALP-POS-95b75b4d-4
0.389
PET-SGC-fedd1f79-1
0.388
JAN-GHE-83b26c96-13
0.388
EDJ-MED-e58735b6-2
0.388
NAU-LAT-3f5f3993-1
0.387
ANN-UNI-98d2bf15-2
0.386
ALP-POS-f13221e1-4
0.386
ALE-HEI-f28a35b5-6
0.386
EDG-MED-0da5ad92-4
0.386
DRA-CSI-47e38074-4
0.386
MIH-UNI-6b9ca91a-1
0.386
TRY-UNI-714a760b-10
0.386
ALP-POS-95b75b4d-1
0.384
ALE-HEI-f28a35b5-17
0.383
SCO-VAN-260d9628-1
0.383
TRY-UNI-714a760b-20
0.382
BEN-DND-6de5dfa0-24
0.381
EDJ-MED-c9f55a56-1
0.381
BAR-COM-0f94fc3d-41
0.380
DAR-DIA-0cde14eb-4
0.380
BEN-DND-93268d01-2
0.379
SIM-DEM-2d7ee9fd-1
0.379
PET-SGC-6e7c5dc0-1
0.378
EDJ-MED-e58735b6-3
0.378
CHR-SOS-1f323c23-7
0.378
DAR-DIA-0cde14eb-78
0.378
MAT-POS-590ac91e-15
0.376
BAR-COM-0f94fc3d-18
0.376
SAM-UNK-2684b532-9
0.375
SAM-UNK-2684b532-10
0.375
MAT-POS-590ac91e-11
0.375
CHR-SOS-1f323c23-4
0.374
DAR-DIA-0cde14eb-1
0.374
DAR-DIA-0cde14eb-64
0.374
MAT-POS-590ac91e-7
0.373
ALE-HEI-f28a35b5-2
0.373