Molecule Details
| Molecular Properties | |
| SMILES: | O=C(NCCN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1)C1CC1 |
| MW: | 474.18 |
| Fraction sp3: | 0.37 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 65.54 |
| cLogP: | 3.9 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4ccccc34)C2=O)C1](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-c7726e07-5
ALP-POS-c3a90b22-6
0.731
ALP-POS-ecbed2ba-12
0.701
MAT-POS-566864e2-2
0.701
MAT-POS-566864e2-1
0.701
MAT-POS-e75f6e44-2
0.694
LUO-POS-868e8996-11
0.692
MAT-POS-c7726e07-5
0.692
LUO-POS-868e8996-12
0.692
MAT-POS-c7726e07-6
0.692
EDJ-MED-8bb691af-4
0.692
LUO-POS-e1dab717-19
0.689
MAT-POS-69786b79-2
0.685
MAT-POS-e75f6e44-13
0.682
MAT-POS-e75f6e44-19
0.682
MAT-POS-e75f6e44-4
0.679
EDJ-MED-6b23330e-5
0.679
MAT-POS-e75f6e44-16
0.679
EDJ-MED-40e596c8-4
0.676
EDJ-MED-40e596c8-1
0.673
EDJ-MED-40e596c8-2
0.673
MAT-POS-e75f6e44-7
0.673
BRU-THA-ae0174a8-1
0.670
ALP-POS-ecbed2ba-14
0.670
MAT-POS-e75f6e44-1
0.670
MAT-POS-e75f6e44-5
0.670
MAT-POS-e75f6e44-20
0.670
MAT-POS-e75f6e44-15
0.667
EDJ-MED-6b23330e-6
0.667
MAT-POS-e75f6e44-21
0.664
EDJ-MED-6b23330e-2
0.664
EDJ-MED-6b23330e-1
0.664
EDJ-MED-6b23330e-7
0.664
MAT-POS-e75f6e44-14
0.661
MAT-POS-69786b79-3
0.661
MIK-ENA-9eb8d9fb-1
0.658
EDJ-MED-6b23330e-4
0.658
MAT-POS-e75f6e44-17
0.658
MAT-POS-e75f6e44-18
0.655
MIK-ENA-1494235a-1
0.655
MIK-ENA-4ed700b1-1
0.655
MIK-ENA-4a1c9a78-1
0.655
MAT-POS-e75f6e44-6
0.652
MAT-POS-e75f6e44-12
0.652
VLA-UNK-3bd6fc51-1
0.651
MAT-POS-e75f6e44-9
0.649
MAT-POS-e75f6e44-8
0.649
MAT-POS-e75f6e44-3
0.649
EDJ-MED-33064c06-16
0.646
MAT-POS-e75f6e44-11
0.646
MAT-POS-e75f6e44-10
0.646
MAT-POS-69786b79-4
0.637
ALP-POS-c3a90b22-7
0.634
EDJ-MED-6b23330e-3
0.629
MAT-POS-69786b79-1
0.613
LUO-POS-e1dab717-1
0.613
ALP-POS-ecbed2ba-7
0.613
MAT-POS-576f7758-1
0.613
MAT-POS-566864e2-3
0.613
MAT-POS-566864e2-4
0.613
EDJ-MED-59d5ca70-2
0.612
PET-UNK-7e9559de-4
0.605
MAT-POS-96396902-1
0.605
PET-UNK-7e9559de-1
0.605
EDJ-MED-cc48ee33-3
0.602
ALP-POS-c3a90b22-2
0.602
MAT-POS-be048f2c-7
0.598
EDJ-MED-cc48ee33-4
0.596
EDJ-MED-7587a9ee-3
0.593
LUO-POS-ed2cfb03-2
0.591
ALP-POS-133e7cd9-1
0.589
ALP-POS-c3a90b22-4
0.586
EDJ-MED-cc48ee33-5
0.586
LUO-POS-ed2cfb03-1
0.584
ALP-POS-ecbed2ba-10
0.583
ALP-POS-ecbed2ba-20
0.582
EDJ-MED-4138fde9-9
0.581
MAT-POS-be048f2c-8
0.580
ALP-POS-ecbed2ba-18
0.579
ALP-POS-ecbed2ba-5
0.573
MAT-POS-be048f2c-5
0.571
ALP-POS-c3a90b22-10
0.571
PET-UNK-94036022-2
0.569
PET-UNK-94036022-9
0.569
EDJ-MED-4138fde9-8
0.569
EDJ-MED-accc2c4d-1
0.569
ALP-POS-ecbed2ba-3
0.565
PET-UNK-94036022-3
0.565
PET-UNK-94036022-10
0.565
EDJ-MED-3707c4bc-2
0.565
EDJ-MED-accc2c4d-3
0.565
EDJ-MED-accc2c4d-4
0.565
EDJ-MED-3707c4bc-1
0.565
ALP-POS-ecbed2ba-19
0.564
EDJ-MED-4cb9dd84-3
0.564
MAT-POS-ddfe83c6-6
0.561
MAT-POS-be048f2c-6
0.558
ALP-POS-ecbed2ba-1
0.555
EDJ-MED-4138fde9-7
0.554
LUO-POS-e1dab717-12
0.554
ALP-POS-ecbed2ba-9
0.551