Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4cccc(C)c34)C2)C1 |
MW: | 434.19 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 48.47 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-8bb691af-1
0.701
EDJ-MED-f3cfbbb5-1
0.594
EDJ-MED-a6bab6fb-1
0.528
MAT-POS-b4d6b7fc-6
0.491
MAT-POS-1d5ab790-2
0.491
EDJ-MED-8bb691af-3
0.487
LUO-POS-f7b1afe6-3
0.465
VLA-MRT-8c78ee15-3
0.457
MAT-POS-50a80394-7
0.457
MAT-POS-ddfe83c6-4
0.457
LUO-POS-f7b1afe6-4
0.457
VLA-MRT-a639d434-1
0.457
PET-UNK-eeb64427-6
0.454
PET-UNK-eeb64427-3
0.454
EDJ-MED-8bb691af-7
0.449
EDJ-MED-8bb691af-4
0.448
MAT-POS-c7726e07-5
0.448
LUO-POS-868e8996-12
0.448
LUO-POS-868e8996-11
0.448
MAT-POS-c7726e07-6
0.448
MAT-POS-1bed62cf-3
0.444
PET-UNK-94036022-7
0.444
PET-UNK-94036022-14
0.444
JOH-MSK-1f2dff76-1
0.444
JOH-MSK-1f2dff76-2
0.444
ALP-POS-133e7cd9-1
0.441
LUO-POS-e1dab717-17
0.437
PET-UNK-eeb64427-2
0.433
PET-UNK-eeb64427-5
0.433
LUO-POS-e1dab717-18
0.432
MAT-POS-50a80394-4
0.432
PET-UNK-eeb64427-1
0.430
PET-UNK-eeb64427-4
0.430
MAT-POS-ddfe83c6-3
0.429
MAT-POS-ddfe83c6-5
0.429
MAT-POS-ddfe83c6-6
0.429
EDJ-MED-b1cef252-1
0.426
MAT-POS-83a7b0a0-1
0.426
MAT-POS-89bd6af1-4
0.426
MIC-UNK-eb20c3e1-1
0.425
EDJ-MED-24007d8a-1
0.421
MAT-POS-50a80394-5
0.420
EDJ-MED-b6c6ee2b-2
0.419
EDJ-MED-8bb691af-2
0.418
MAT-POS-ddfe83c6-2
0.413
ALP-POS-e266d783-2
0.412
MAT-POS-89bd6af1-3
0.412
MAT-UNK-28cf4d29-1
0.412
MAT-POS-38eb6498-5
0.408
MAT-POS-50a80394-6
0.407
MIK-ENA-610c7cf9-1
0.403
MIK-ENA-1494235a-1
0.403
MIK-ENA-4ed700b1-1
0.403
MAT-POS-b4d6b7fc-5
0.403
MIK-ENA-4bb8c98f-1
0.403
MIK-ENA-4a1c9a78-1
0.403
LUO-POS-b4dec3be-1
0.403
LUO-POS-b4dec3be-2
0.403
MIK-UNK-122557fa-1
0.398
PET-UNK-df7eb4e6-2
0.398
EDJ-MED-705e09b8-1
0.398
MIK-UNK-1619f2e2-1
0.398
PET-UNK-df7eb4e6-6
0.398
MAT-POS-b4d6b7fc-7
0.395
PET-UNK-df7eb4e6-1
0.395
PET-UNK-df7eb4e6-5
0.395
EDJ-MED-e78d5f1a-1
0.391
EDJ-MED-33064c06-16
0.391
MAT-POS-e75f6e44-10
0.391
PET-UNK-c6bcc80b-5
0.386
PET-UNK-c6bcc80b-12
0.386
EDJ-MED-b6c6ee2b-1
0.385
MAT-POS-38eb6498-3
0.385
VLA-MRT-a639d434-2
0.383
VLA-MRT-8c78ee15-4
0.383
EDJ-MED-6b23330e-5
0.378
MAT-POS-e75f6e44-4
0.378
VLA-UNK-5d8210f0-4
0.376
MIK-ENA-f73d8b60-1
0.375
MAT-POS-69786b79-3
0.373
MAT-POS-e75f6e44-6
0.372
LUO-POS-e1dab717-19
0.372
ALP-POS-ecbed2ba-12
0.370
ALP-POS-ecbed2ba-14
0.370
MAT-POS-566864e2-1
0.370
MAT-POS-566864e2-2
0.370
VLA-UNK-5d8210f0-5
0.370
EDJ-MED-6b23330e-1
0.367
EDJ-MED-6b23330e-2
0.367
EDJ-MED-6b23330e-7
0.367
EDJ-MED-d7486dd1-1
0.366
VLA-UNK-5d8210f0-1
0.365
ALP-POS-c3a90b22-6
0.365
EDJ-MED-6b23330e-4
0.364
MAT-POS-e75f6e44-7
0.364
MAT-POS-e75f6e44-9
0.364
MAT-POS-e75f6e44-8
0.364
VLA-UNK-5d8210f0-2
0.362
MAT-POS-853c0ffa-1
0.362
MAT-POS-1d5ab790-3
0.362