Molecular Properties | |
SMILES: | CNC(=O)CN(C)Cc1ccc(Cl)cc1N1CCN(c2cncc3ccccc23)C1=O |
MW: | 437.16 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 68.78 |
cLogP: | 3.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-c7726e07-5
MAT-UCL-e2ab2224-2
0.639
PET-UNK-7be94445-2
0.516
JUL-TUD-06b2044f-112
0.500
EDJ-MED-28b38b9b-3
0.464
PET-UNK-7be94445-1
0.458
LUO-POS-f7b1afe6-3
0.450
MAT-POS-c7726e07-5
0.446
LUO-POS-868e8996-11
0.446
LUO-POS-868e8996-12
0.446
MAT-POS-c7726e07-6
0.446
EDJ-MED-8bb691af-4
0.446
ALP-POS-c3a90b22-6
0.443
ALP-POS-133e7cd9-1
0.439
VLA-UNK-5d8210f0-5
0.436
LUO-POS-e1dab717-1
0.435
MAT-POS-566864e2-4
0.435
ALP-POS-ecbed2ba-7
0.435
MAT-POS-576f7758-1
0.435
MAT-POS-69786b79-1
0.435
MAT-POS-566864e2-3
0.435
PET-UNK-14142a25-10
0.434
MIK-ENA-37e0b697-1
0.434
PET-UNK-14142a25-1
0.434
LUO-POS-9931618f-1
0.434
LUO-POS-9931618f-2
0.434
MIK-ENA-794411b8-1
0.434
EDJ-MED-8bb691af-8
0.434
VLA-UNK-5d8210f0-4
0.431
EDJ-MED-28b38b9b-2
0.430
MAT-POS-50a80394-4
0.430
EDJ-MED-976a33d5-3
0.427
ALP-POS-c3a90b22-2
0.427
MIK-ENA-1494235a-1
0.424
MIK-ENA-4ed700b1-1
0.424
VLA-UNK-8e615992-4
0.424
MIK-ENA-4a1c9a78-1
0.424
LUO-POS-e1dab717-13
0.424
VLA-UNK-61877630-3
0.424
MAT-POS-e75f6e44-1
0.424
EDJ-MED-8bb691af-3
0.421
PET-UNK-14142a25-8
0.420
PET-UNK-14142a25-17
0.420
PET-UNK-14142a25-11
0.419
PET-UNK-14142a25-2
0.419
BEN-DND-d1eb1f41-7
0.417
MAT-POS-24589f88-14
0.417
LUO-POS-f7b1afe6-4
0.417
MAT-POS-50a80394-7
0.417
MAT-POS-50a80394-5
0.417
MAT-POS-e75f6e44-7
0.417
MAT-POS-e75f6e44-17
0.417
EDJ-MED-98c0a822-1
0.417
ALP-POS-c3a90b22-4
0.417
MAT-POS-50a80394-6
0.415
ALP-POS-4483ae88-2
0.415
VLA-UNK-5d8210f0-2
0.415
ALP-POS-c3a90b22-5
0.415
MAT-POS-a9372f04-1
0.415
DAR-DIA-0f7b7cd9-7
0.414
MAT-POS-e75f6e44-6
0.413
MAT-POS-d8472c4f-1
0.412
MAT-POS-8695a11f-1
0.412
MAT-POS-8695a11f-3
0.412
ALP-POS-ecbed2ba-14
0.412
LUO-POS-e1dab717-2
0.412
EDJ-MED-976a33d5-1
0.412
MAT-POS-576f7758-2
0.412
MAT-POS-e48723dc-1
0.412
MAT-POS-e48723dc-2
0.412
EDJ-MED-40e596c8-1
0.410
EDJ-MED-98c0a822-2
0.410
ALP-POS-afe0272e-2
0.409
MAT-POS-e75f6e44-4
0.408
EDJ-MED-33064c06-8
0.408
EDJ-MED-6b23330e-5
0.408
MIC-UNK-d854bf4c-1
0.407
MIC-UNK-d854bf4c-3
0.407
EDJ-MED-a12e3a20-2
0.407
VLA-UNK-61877630-4
0.407
VLA-UNK-8e615992-1
0.407
VLA-UNK-5d8210f0-1
0.407
ALP-POS-c3a90b22-10
0.407
ALP-POS-afe0272e-1
0.405
PET-UNK-14142a25-4
0.405
PET-UNK-14142a25-13
0.405
PET-UNK-14142a25-18
0.405
ALP-POS-c3a90b22-1
0.405
EDJ-MED-98c0a822-3
0.405
PET-UNK-14142a25-9
0.405
ALP-POS-df536be7-4
0.404
MIC-UNK-9582b2c5-3
0.404
LUO-POS-e1dab717-19
0.404
MAT-POS-69786b79-3
0.403
EDJ-MED-28b38b9b-1
0.403
EDJ-MED-cc48ee33-3
0.403
VLA-UNK-61877630-5
0.403
VLA-UNK-8e615992-2
0.403
JOH-MSK-4bb3d434-1
0.402
MAT-POS-e75f6e44-19
0.402
EDJ-MED-33064c06-5
0.402