Molecular Properties | |
SMILES: | CNC(=O)CNC(=O)c1ccc(Cl)cc1C1CCN(c2cncc3ccccc23)C1=O |
MW: | 436.13 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDJ-MED-28b38b9b-3
0.742
EDJ-MED-28b38b9b-1
0.737
ALP-POS-df536be7-4
0.571
PET-UNK-c9c1e0d8-4
0.520
GIA-UNK-80c9bc96-1
0.520
EDG-MED-5d232de5-8
0.520
EDG-MED-5d232de5-7
0.520
ALP-POS-bb8a3193-4
0.508
BEN-DND-d1eb1f41-15
0.505
ALP-POS-bb8a3193-8
0.504
ALP-UNI-58319883-1
0.500
BEN-DND-d1eb1f41-9
0.472
PET-UNK-c9c1e0d8-3
0.466
ALP-POS-ce760d3f-8
0.465
BEN-DND-d1eb1f41-8
0.462
BEN-DND-d1eb1f41-7
0.452
MAT-POS-24589f88-14
0.452
ALP-POS-bb8a3193-5
0.448
ALP-UNI-3735e77e-1
0.447
ALP-POS-e0fe77e5-1
0.447
ALP-POS-bb8a3193-9
0.444
MIK-ENA-37e0b697-1
0.440
PET-UNK-14142a25-1
0.440
LUO-POS-9931618f-1
0.440
MIK-ENA-794411b8-1
0.440
LUO-POS-9931618f-2
0.440
PET-UNK-14142a25-10
0.440
EDJ-MED-8bb691af-8
0.440
EDJ-MED-4cb9dd84-1
0.438
MAT-UCL-e2ab2224-1
0.430
ALP-POS-ecbed2ba-12
0.430
MAT-POS-566864e2-1
0.430
MAT-POS-566864e2-2
0.430
VLA-UNK-5d8210f0-5
0.430
ALP-POS-c3a90b22-11
0.427
MAT-POS-c7726e07-6
0.427
LUO-POS-868e8996-12
0.427
EDJ-MED-8bb691af-4
0.427
LUO-POS-868e8996-11
0.427
MAT-POS-c7726e07-5
0.427
VLA-UNK-61877630-4
0.425
VLA-UNK-8e615992-1
0.425
VLA-UNK-5d8210f0-4
0.425
MAT-POS-50a80394-4
0.424
MAT-POS-50a80394-5
0.424
ALP-POS-6479a3a9-3
0.422
ALP-POS-d7944b10-1
0.422
ALP-POS-133e7cd9-1
0.420
MAT-POS-e75f6e44-13
0.419
LUO-POS-f7b1afe6-3
0.419
MIC-UNK-d854bf4c-3
0.414
PET-UNK-14142a25-2
0.413
PET-UNK-14142a25-11
0.413
ALP-POS-c3a90b22-6
0.413
EDJ-MED-59d5ca70-2
0.413
MAT-POS-50a80394-6
0.410
VLA-UNK-61877630-5
0.410
ALP-POS-c3a90b22-2
0.410
ALP-POS-c3a90b22-5
0.410
VLA-UNK-8e615992-2
0.410
VLA-UNK-8e615992-3
0.408
JOH-MSK-4bb3d434-1
0.408
MAT-POS-e75f6e44-6
0.408
MAT-POS-e75f6e44-19
0.408
MIK-ENA-4a1c9a78-1
0.407
EDJ-MED-33064c06-2
0.407
MAT-POS-e75f6e44-5
0.407
EDJ-MED-33064c06-18
0.407
VLA-UNK-8e615992-4
0.407
MIK-ENA-1494235a-1
0.407
MIK-ENA-4ed700b1-1
0.407
VLA-UNK-61877630-3
0.407
MIK-ENA-9eb8d9fb-1
0.406
ALP-POS-ecbed2ba-7
0.405
MAT-POS-69786b79-1
0.405
MAT-POS-576f7758-1
0.405
LUO-POS-e1dab717-1
0.405
MAT-POS-566864e2-3
0.405
MAT-POS-566864e2-4
0.405
EDJ-MED-33064c06-3
0.405
EDJ-MED-33064c06-16
0.405
MAT-POS-e75f6e44-10
0.405
ALP-POS-afe0272e-2
0.403
EDJ-MED-8bb691af-3
0.403
MAT-POS-e75f6e44-4
0.403
EDJ-MED-6b23330e-5
0.403
EDJ-MED-6b23330e-1
0.403
EDJ-MED-a12e3a20-2
0.402
VLA-UNK-5d8210f0-1
0.402
MAT-POS-50a80394-7
0.400
LUO-POS-f7b1afe6-4
0.400
VLA-UNK-61877630-6
0.400
VLA-UNK-f2612802-3
0.400
EDJ-MED-3af0740c-1
0.400
VLA-UNK-8e615992-5
0.400
EDJ-MED-33064c06-1
0.400
EDJ-MED-33064c06-15
0.400
MAT-POS-e75f6e44-7
0.400
MAT-POS-e75f6e44-17
0.400
LUO-POS-e1dab717-12
0.398