Molecular Properties | |
SMILES: | C=CC(=O)N[C@@]1(C(=O)Nc2nncn2C2CC2)CCOc2ccc(Cl)cc21 |
MW: | 387.11 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.14 |
cLogP: | 2.19 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Dipeptide
LON-WEI-b8d98729-43
EDG-MED-fe7487f8-6
0.593
JOH-UNI-766085ab-1
0.593
MIK-NEW-9ae4bfeb-1
0.593
BRU-THA-a358fbdd-4
0.593
EDG-MED-fe7487f8-7
0.574
MIC-UNK-4ce148f7-2
0.535
MIC-UNK-4ce148f7-3
0.535
JAN-GHE-299e5c7e-1
0.531
JAN-GHE-299e5c7e-2
0.520
MIC-UNK-4ce148f7-1
0.519
MIC-UNK-deda7a44-3
0.509
MIC-UNK-deda7a44-2
0.509
MIC-UNK-4ce148f7-4
0.505
ADA-UCB-b1b30a00-5
0.505
MIC-UNK-deda7a44-1
0.505
MIC-UNK-deda7a44-4
0.482
BRU-THA-a358fbdd-6
0.479
MIC-UNK-deda7a44-9
0.478
MIC-UNK-deda7a44-8
0.478
JOH-UNI-d0d90dc1-2
0.470
BRU-THA-a358fbdd-1
0.449
BRU-THA-a358fbdd-2
0.439
ERI-UCB-9c7ec71b-1
0.439
JAN-GHE-f4ca5a00-4
0.439
JOH-UNI-9ad7e798-1
0.439
EDG-MED-90036822-86
0.438
JAG-UCB-c61058a9-12
0.436
JAG-UCB-119787ef-1
0.434
JAG-UCB-a3ef7265-20
0.434
MAT-POS-968e8d9c-1
0.434
EDG-MED-90036822-12
0.432
EDG-MED-90036822-2
0.431
NAU-LAT-e1818702-5
0.429
EDG-MED-90036822-100
0.427
EDG-MED-90036822-4
0.425
EDG-MED-90036822-3
0.425
EDG-MED-90036822-15
0.425
EDG-MED-90036822-24
0.423
EDG-MED-90036822-13
0.422
EDG-MED-90036822-81
0.420
EDG-MED-90036822-78
0.419
EDG-MED-90036822-109
0.418
EDG-MED-90036822-84
0.417
EDG-MED-90036822-108
0.417
EDG-MED-90036822-21
0.416
EDG-MED-90036822-35
0.415
ALP-UNI-dbbfd3db-3
0.415
KAD-UNI-8a629cb0-13
0.415
EDG-MED-90036822-28
0.414
EDG-MED-90036822-29
0.414
EDG-MED-90036822-63
0.414
JOH-UNI-04a01eac-2
0.413
EDJ-MED-6864a934-2
0.413
ALP-UNI-dbbfd3db-4
0.413
EDG-MED-90036822-47
0.412
EDG-MED-90036822-48
0.412
EDG-MED-90036822-56
0.412
EDG-MED-90036822-73
0.412
EDG-MED-90036822-83
0.412
EDG-MED-90036822-99
0.412
EDG-MED-90036822-68
0.410
EDG-MED-90036822-40
0.410
EDG-MED-90036822-61
0.409
EDG-MED-90036822-75
0.408
EDG-MED-90036822-74
0.408
EDG-MED-90036822-10
0.407
EDG-MED-90036822-11
0.407
NAU-LAT-8502cac5-3
0.406
EDG-MED-90036822-54
0.405
ALP-UNI-dbbfd3db-6
0.405
MAT-POS-24589f88-11
0.405
MIC-UNK-deda7a44-5
0.404
JAG-UCB-c61058a9-18
0.404
NAU-LAT-8502cac5-2
0.404
EDG-MED-90036822-9
0.404
EDG-MED-90036822-34
0.404
EDG-MED-90036822-18
0.403
EDG-MED-90036822-76
0.403
EDG-MED-90036822-77
0.403
EDG-MED-90036822-6
0.403
EDJ-MED-6864a934-9
0.403
EDJ-MED-6864a934-8
0.403
MAT-POS-2905de8c-2
0.402
EDG-MED-90036822-52
0.402
EDG-MED-90036822-95
0.402
EDG-MED-90036822-25
0.402
EDG-MED-90036822-105
0.402
EDG-MED-90036822-17
0.400
EDG-MED-90036822-16
0.400
EDG-MED-90036822-43
0.400
EDG-MED-90036822-44
0.400
EDG-MED-90036822-62
0.400
EDG-MED-90036822-67
0.400
EDG-MED-90036822-89
0.400
EDG-MED-90036822-101
0.400
EDG-MED-90036822-5
0.400
EDG-MED-90036822-97
0.400
EDG-MED-90036822-26
0.398
EDG-MED-90036822-42
0.398
EDG-MED-90036822-87
0.398