Molecular Properties | |
SMILES: | CNC(=O)C1(NC(=O)c2ccc(Cl)cc2C2CCN(c3cncc4ccccc34)C2=O)CC1 |
MW: | 462.15 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDJ-MED-28b38b9b-2
0.737
EDJ-MED-28b38b9b-3
0.680
ALP-POS-df536be7-4
0.550
ALP-POS-bb8a3193-8
0.512
ALP-POS-bb8a3193-4
0.504
EDG-MED-5d232de5-7
0.485
GIA-UNK-80c9bc96-1
0.485
PET-UNK-c9c1e0d8-4
0.485
EDG-MED-5d232de5-8
0.485
ALP-UNI-58319883-1
0.483
BEN-DND-d1eb1f41-15
0.472
ALP-POS-c3a90b22-2
0.455
ALP-POS-bb8a3193-9
0.453
MAT-POS-566864e2-3
0.450
ALP-POS-ecbed2ba-7
0.450
LUO-POS-e1dab717-1
0.450
MAT-POS-69786b79-1
0.450
MAT-POS-576f7758-1
0.450
MAT-POS-566864e2-4
0.450
VLA-UNK-5d8210f0-4
0.446
ALP-POS-bb8a3193-5
0.445
VLA-UNK-5d8210f0-5
0.439
PET-UNK-14142a25-10
0.437
EDJ-MED-8bb691af-8
0.437
PET-UNK-14142a25-1
0.437
MIK-ENA-37e0b697-1
0.437
LUO-POS-9931618f-1
0.437
MIK-ENA-794411b8-1
0.437
LUO-POS-9931618f-2
0.437
MIC-UNK-d854bf4c-3
0.436
PET-UNK-c9c1e0d8-3
0.435
ALP-POS-ce760d3f-8
0.434
MAT-POS-50a80394-4
0.433
EDJ-MED-59d5ca70-2
0.433
BEN-DND-d1eb1f41-8
0.432
ALP-POS-c3a90b22-4
0.432
BEN-DND-d1eb1f41-9
0.429
LUO-POS-e1dab717-13
0.427
EDJ-MED-8bb691af-4
0.425
MAT-POS-c7726e07-5
0.425
LUO-POS-868e8996-11
0.425
MAT-POS-c7726e07-6
0.425
LUO-POS-868e8996-12
0.425
EDJ-MED-4cb9dd84-1
0.424
MAT-POS-24589f88-14
0.422
BEN-DND-d1eb1f41-7
0.422
ALP-POS-c3a90b22-10
0.422
MAT-POS-50a80394-5
0.421
EDJ-MED-98c0a822-1
0.421
ALP-POS-4483ae88-2
0.419
EDJ-MED-976a33d5-3
0.419
LUO-POS-e1dab717-12
0.419
ALP-POS-133e7cd9-1
0.418
ALP-POS-e0fe77e5-1
0.417
LUO-POS-f7b1afe6-3
0.417
ALP-UNI-3735e77e-1
0.417
MAT-POS-566864e2-1
0.416
ALP-POS-ecbed2ba-12
0.416
VLA-UNK-8e615992-4
0.416
VLA-UNK-61877630-3
0.416
MAT-POS-566864e2-2
0.416
MIK-ENA-9eb8d9fb-1
0.415
EDJ-MED-98c0a822-2
0.414
ALP-POS-c3a90b22-11
0.414
VLA-UNK-f2612802-1
0.413
PET-UNK-14142a25-11
0.411
VLA-UNK-61877630-4
0.411
VLA-UNK-8e615992-1
0.411
ALP-POS-c3a90b22-6
0.411
PET-UNK-14142a25-2
0.411
ALP-POS-c3a90b22-1
0.409
EDJ-MED-98c0a822-3
0.409
VLA-UNK-f2612802-3
0.409
VLA-UNK-61877630-5
0.408
ALP-POS-c3a90b22-5
0.408
MAT-POS-50a80394-6
0.408
VLA-UNK-8e615992-2
0.408
MIC-UNK-d854bf4c-4
0.407
JOH-MSK-4bb3d434-1
0.407
MAT-POS-e75f6e44-13
0.406
MAT-POS-e75f6e44-19
0.406
MIK-ENA-1494235a-1
0.405
MIK-ENA-4ed700b1-1
0.405
MAT-POS-e48723dc-2
0.405
MIK-ENA-4a1c9a78-1
0.405
EDJ-MED-33064c06-18
0.405
LUO-POS-e1dab717-2
0.405
EDJ-MED-976a33d5-1
0.405
MAT-POS-576f7758-2
0.405
MAT-POS-e48723dc-1
0.405
MAT-UCL-e2ab2224-1
0.403
EDJ-MED-98c0a822-4
0.403
ALP-POS-c3a90b22-3
0.403
EDJ-MED-33064c06-13
0.403
ALP-UNI-58319883-2
0.402
PET-UNK-431b3bfb-1
0.402
ALP-POS-afe0272e-2
0.402
MAT-POS-e75f6e44-4
0.402
EDJ-MED-6b23330e-5
0.402
MIC-UNK-d854bf4c-1
0.400