Molecule Details
| Molecular Properties | |
| SMILES: | C=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1)C(=O)NCC1CC1 |
| MW: | 500.2 |
| Fraction sp3: | 0.34 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 65.54 |
| cLogP: | 4.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Long aliphatic chain
![O=C(CN1Cc2ccc(Cl)cc2[C@]2(CCN(c3cncc4ccccc34)C2=O)C1)NCC1CC1](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-566864e2-2
0.832
MAT-POS-566864e2-1
0.832
ALP-POS-ecbed2ba-12
0.832
MIK-ENA-1494235a-1
0.814
MIK-ENA-4ed700b1-1
0.814
MIK-ENA-4a1c9a78-1
0.814
MAT-POS-e75f6e44-13
0.790
MAT-POS-e75f6e44-14
0.750
MAT-POS-e75f6e44-18
0.743
MAT-POS-e75f6e44-20
0.743
LUO-POS-868e8996-11
0.738
MAT-POS-c7726e07-5
0.738
LUO-POS-868e8996-12
0.738
MAT-POS-c7726e07-6
0.738
EDJ-MED-8bb691af-4
0.738
MAT-POS-e75f6e44-16
0.736
MAT-POS-e75f6e44-21
0.736
LUO-POS-e1dab717-19
0.735
MAT-POS-69786b79-2
0.729
BRU-THA-ae0174a8-1
0.713
ALP-POS-ecbed2ba-14
0.713
MAT-POS-e75f6e44-1
0.713
MAT-POS-e75f6e44-5
0.713
EDJ-MED-6b23330e-6
0.709
EDJ-MED-6b23330e-1
0.706
EDJ-MED-6b23330e-2
0.706
EDJ-MED-6b23330e-5
0.706
MAT-POS-e75f6e44-4
0.706
EDJ-MED-6b23330e-7
0.706
MAT-POS-e75f6e44-2
0.706
MAT-POS-69786b79-3
0.704
EDJ-MED-33064c06-16
0.703
MAT-POS-e75f6e44-10
0.703
MAT-POS-e75f6e44-7
0.700
MAT-POS-e75f6e44-17
0.700
EDJ-MED-6b23330e-4
0.700
MAT-POS-e75f6e44-6
0.694
MAT-POS-e75f6e44-12
0.694
MAT-POS-e75f6e44-15
0.694
MAT-POS-e75f6e44-19
0.694
MAT-POS-e75f6e44-3
0.691
MAT-POS-e75f6e44-8
0.690
MAT-POS-e75f6e44-9
0.690
MAT-POS-e75f6e44-11
0.688
EDJ-MED-6b23330e-3
0.684
MAT-POS-69786b79-4
0.679
EDJ-MED-4cb9dd84-3
0.676
EDJ-MED-40e596c8-2
0.670
MIK-ENA-f73d8b60-1
0.670
EDJ-MED-59d5ca70-2
0.667
EDJ-MED-40e596c8-3
0.658
ALP-POS-c3a90b22-6
0.649
VLA-UNK-3bd6fc51-1
0.648
ALP-POS-133e7cd9-1
0.631
EDJ-MED-40e596c8-1
0.625
MIK-ENA-30ee93be-1
0.624
EDJ-MED-4cb9dd84-1
0.603
ALP-POS-c3a90b22-7
0.603
MAT-POS-ddfe83c6-6
0.602
LUO-POS-e1dab717-12
0.592
PET-UNK-7e9559de-1
0.590
PET-UNK-7e9559de-4
0.590
MAT-POS-96396902-1
0.590
EDJ-MED-b6c6ee2b-2
0.585
MAT-POS-38eb6498-5
0.585
MAT-POS-be048f2c-7
0.583
MAT-POS-566864e2-4
0.583
MAT-POS-69786b79-1
0.583
LUO-POS-e1dab717-1
0.583
MAT-POS-576f7758-1
0.583
MAT-POS-566864e2-3
0.583
ALP-POS-ecbed2ba-7
0.583
MAT-POS-b4d6b7fc-5
0.581
ALP-POS-ecbed2ba-10
0.581
MIK-ENA-4bb8c98f-1
0.581
LUO-POS-b4dec3be-1
0.581
MIK-ENA-610c7cf9-1
0.581
LUO-POS-b4dec3be-2
0.581
PET-UNK-94036022-3
0.578
PET-UNK-94036022-10
0.578
EDJ-MED-7587a9ee-3
0.577
LUO-POS-ed2cfb03-2
0.575
ALP-POS-c3a90b22-11
0.575
EDJ-MED-59d5ca70-1
0.574
VLA-UNK-5d8210f0-2
0.573
ALP-POS-c3a90b22-2
0.573
EDJ-MED-b6c6ee2b-1
0.571
EDJ-MED-cc48ee33-5
0.571
MAT-POS-38eb6498-3
0.571
EDJ-MED-4138fde9-8
0.568
MIK-ENA-26b331e0-1
0.567
EDJ-MED-4138fde9-9
0.567
ALP-POS-ecbed2ba-20
0.566
ALP-POS-afe0272e-1
0.565
ALP-POS-ecbed2ba-3
0.564
ALP-POS-ecbed2ba-18
0.564
EDJ-MED-accc2c4d-3
0.564
EDJ-MED-cc48ee33-3
0.559
ALP-POS-ecbed2ba-5
0.558
ALP-POS-ecbed2ba-6
0.558