Molecule Details
| Molecular Properties | |
| SMILES: | C=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(Cl)cc34)C2=O)C1)C(=O)NC |
| MW: | 494.13 |
| Fraction sp3: | 0.27 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 4.33 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-ddfe83c6-6
0.833
MIK-ENA-4a1c9a78-1
0.818
MIK-ENA-1494235a-1
0.818
MIK-ENA-4ed700b1-1
0.818
MIK-ENA-30ee93be-1
0.768
EDJ-MED-4cb9dd84-3
0.740
MIK-ENA-26b331e0-1
0.723
LUO-POS-b4dec3be-1
0.698
MIK-ENA-610c7cf9-1
0.698
MIK-ENA-4bb8c98f-1
0.698
LUO-POS-b4dec3be-2
0.698
MAT-POS-b4d6b7fc-5
0.698
LUO-POS-868e8996-11
0.689
MAT-POS-c7726e07-5
0.689
LUO-POS-868e8996-12
0.689
MAT-POS-c7726e07-6
0.689
EDJ-MED-8bb691af-4
0.689
MAT-POS-38eb6498-5
0.685
EDJ-MED-b6c6ee2b-2
0.685
MIK-ENA-9eb8d9fb-1
0.670
LUO-POS-e1dab717-3
0.654
EDJ-MED-b6c6ee2b-1
0.650
MAT-POS-38eb6498-3
0.650
LUO-POS-e1dab717-19
0.638
EDJ-MED-6b23330e-1
0.631
MAT-POS-69786b79-3
0.627
ALP-POS-ecbed2ba-14
0.622
MAT-POS-e75f6e44-6
0.619
EDJ-MED-6b23330e-2
0.616
MAT-POS-e75f6e44-4
0.616
EDJ-MED-6b23330e-5
0.616
EDJ-MED-6b23330e-7
0.616
EDJ-MED-6b23330e-4
0.611
MAT-POS-e75f6e44-7
0.611
BRU-THA-ae0174a8-1
0.607
ALP-POS-ecbed2ba-12
0.607
MAT-POS-69786b79-2
0.607
MAT-POS-e75f6e44-1
0.607
MAT-POS-566864e2-2
0.607
MAT-POS-566864e2-1
0.607
MAT-POS-e75f6e44-5
0.607
MAT-POS-69786b79-4
0.605
EDJ-MED-6b23330e-6
0.605
MAT-POS-e75f6e44-19
0.605
ALP-POS-c3a90b22-6
0.604
MAT-POS-e75f6e44-2
0.602
MAT-POS-e75f6e44-3
0.602
EDJ-MED-33064c06-16
0.600
MAT-POS-e75f6e44-10
0.600
EDJ-MED-6b23330e-3
0.598
MAT-POS-e75f6e44-17
0.596
MAT-POS-e75f6e44-20
0.595
MAT-POS-e75f6e44-12
0.591
MAT-POS-e75f6e44-15
0.591
MAT-POS-e75f6e44-13
0.591
MAT-POS-e75f6e44-9
0.590
MAT-POS-e75f6e44-16
0.590
MAT-POS-e75f6e44-8
0.590
PET-UNK-c6bcc80b-5
0.588
PET-UNK-c6bcc80b-12
0.588
MAT-POS-e75f6e44-11
0.586
MAT-POS-e75f6e44-14
0.586
ALP-POS-133e7cd9-1
0.586
EDG-MED-b1ef7fe3-1
0.582
LUO-POS-8c3e556a-1
0.582
LUO-POS-8c3e556a-2
0.582
MAT-POS-e75f6e44-18
0.581
MAT-POS-b4d6b7fc-7
0.576
MAT-POS-e75f6e44-21
0.576
PET-UNK-df7eb4e6-1
0.570
MAT-POS-b4d6b7fc-6
0.570
MAT-POS-1d5ab790-2
0.570
PET-UNK-df7eb4e6-5
0.570
EDJ-MED-40e596c8-1
0.566
EDJ-MED-b6c6ee2b-4
0.565
VLA-UNK-3bd6fc51-1
0.559
PET-UNK-eeb64427-4
0.557
PET-UNK-eeb64427-1
0.557
LUO-POS-e1dab717-4
0.543
MAT-POS-69786b79-1
0.539
LUO-POS-e1dab717-1
0.539
ALP-POS-ecbed2ba-7
0.539
MAT-POS-576f7758-1
0.539
MAT-POS-566864e2-3
0.539
MAT-POS-566864e2-4
0.539
EDJ-MED-4138fde9-3
0.536
LUO-POS-e1dab717-5
0.533
EDJ-MED-40e596c8-3
0.533
VLA-UNK-5d8210f0-2
0.530
ALP-POS-c3a90b22-2
0.530
ALP-POS-c3a90b22-10
0.529
LUO-POS-e1dab717-7
0.523
ALP-POS-afe0272e-1
0.522
EDJ-MED-705e09b8-1
0.521
MIK-UNK-1619f2e2-1
0.521
MIK-UNK-122557fa-1
0.521
PET-UNK-7e9559de-4
0.521
MAT-POS-96396902-1
0.521
PET-UNK-7e9559de-1
0.521
MAT-POS-38eb6498-2
0.520