Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)C1(N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CCC1 |
| MW: | 474.18 |
| Fraction sp3: | 0.37 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 4.05 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-576f7758-1
0.933
LUO-POS-e1dab717-1
0.933
MAT-POS-566864e2-3
0.933
MAT-POS-566864e2-4
0.933
MAT-POS-69786b79-1
0.933
ALP-POS-ecbed2ba-7
0.933
ALP-POS-c3a90b22-10
0.857
ALP-POS-c3a90b22-4
0.845
LUO-POS-e1dab717-13
0.806
EDJ-MED-59d5ca70-2
0.767
LUO-POS-e1dab717-3
0.740
EDJ-MED-8bb691af-4
0.710
LUO-POS-868e8996-11
0.710
LUO-POS-868e8996-12
0.710
MAT-POS-c7726e07-6
0.710
MAT-POS-c7726e07-5
0.710
LUO-POS-e1dab717-5
0.692
LUO-POS-e1dab717-9
0.685
ALP-POS-c3a90b22-6
0.667
LUO-POS-e1dab717-7
0.655
MIK-ENA-1494235a-1
0.654
MIK-ENA-4ed700b1-1
0.654
MIK-ENA-4a1c9a78-1
0.654
MAT-POS-e75f6e44-19
0.651
LUO-POS-ed2cfb03-2
0.650
EDJ-MED-4138fde9-3
0.643
EDJ-MED-98c0a822-1
0.642
ALP-POS-c3a90b22-1
0.642
EDJ-MED-98c0a822-3
0.642
LUO-POS-e1dab717-19
0.641
EDJ-MED-7587a9ee-3
0.637
EDJ-MED-6b23330e-5
0.633
MAT-POS-e75f6e44-4
0.633
ALP-POS-133e7cd9-1
0.632
MAT-POS-69786b79-3
0.630
EDJ-MED-6b23330e-4
0.627
MAT-POS-e75f6e44-17
0.627
EDJ-MED-40e596c8-1
0.626
ALP-POS-ecbed2ba-20
0.625
MAT-POS-69786b79-2
0.624
ALP-POS-ecbed2ba-14
0.624
MAT-POS-e75f6e44-15
0.622
MAT-POS-e75f6e44-6
0.622
EDJ-MED-6b23330e-1
0.618
EDJ-MED-6b23330e-7
0.618
EDJ-MED-6b23330e-2
0.618
EDJ-MED-976a33d5-3
0.615
EDJ-MED-cc48ee33-3
0.615
MAT-POS-e75f6e44-7
0.613
EDJ-MED-cc48ee33-5
0.613
EDJ-MED-976a33d5-1
0.609
MAT-POS-566864e2-1
0.609
MAT-POS-566864e2-2
0.609
BRU-THA-ae0174a8-1
0.609
ALP-POS-ecbed2ba-12
0.609
MAT-POS-576f7758-2
0.609
LUO-POS-e1dab717-2
0.609
EDJ-MED-cc48ee33-4
0.609
MAT-POS-e48723dc-1
0.609
MAT-POS-e48723dc-2
0.609
MAT-POS-e75f6e44-1
0.609
MAT-POS-e75f6e44-5
0.609
EDJ-MED-6b23330e-6
0.607
MAT-POS-e75f6e44-13
0.607
EDJ-MED-d4864bdc-1
0.606
ALP-POS-ecbed2ba-3
0.606
MAT-POS-e75f6e44-9
0.605
MAT-POS-e75f6e44-8
0.605
EDJ-MED-4138fde9-4
0.605
VLA-UNK-3bd6fc51-1
0.604
MAT-POS-e75f6e44-3
0.604
MAT-POS-e75f6e44-2
0.604
MAT-POS-e75f6e44-10
0.602
EDJ-MED-33064c06-16
0.602
EDJ-MED-40e596c8-3
0.602
PET-UNK-14142a25-10
0.598
EDJ-MED-8bb691af-8
0.598
MIK-ENA-37e0b697-1
0.598
PET-UNK-14142a25-1
0.598
LUO-POS-9931618f-1
0.598
LUO-POS-9931618f-2
0.598
MIK-ENA-794411b8-1
0.598
MAT-POS-be048f2c-6
0.596
LUO-POS-ed2cfb03-1
0.596
ALP-POS-ecbed2ba-8
0.593
MAT-POS-e75f6e44-12
0.593
MAT-POS-69786b79-4
0.593
MAT-POS-e75f6e44-16
0.591
EDJ-MED-3707c4bc-2
0.591
ALP-POS-ecbed2ba-18
0.591
PET-UNK-94036022-3
0.591
PET-UNK-94036022-10
0.591
EDJ-MED-3707c4bc-1
0.591
ALP-POS-ecbed2ba-19
0.589
EDJ-MED-98c0a822-2
0.588
EDJ-MED-33064c06-13
0.588
EDJ-MED-98c0a822-4
0.588
MAT-POS-e75f6e44-11
0.588
ALP-POS-c3a90b22-3
0.588
MAT-POS-e75f6e44-14
0.588