Molecule Details
| Molecular Properties | |
| SMILES: | COCCNCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
| MW: | 425.15 |
| Fraction sp3: | 0.3 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 7 |
| TPSA: | 72.48 |
| cLogP: | 3.78 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
EDJ-MED-424a8a89-1
1.000
EDJ-MED-8c98ee63-1
0.882
EDJ-MED-f893e2a1-8
0.815
MAT-POS-e6dd326d-10
0.811
EDJ-MED-15e90dfc-7
0.802
MAT-POS-e6dd326d-2
0.791
MAT-POS-45b13633-2
0.791
MAT-POS-e6dd326d-11
0.779
MAT-POS-e6dd326d-13
0.773
MAT-POS-e6dd326d-6
0.771
EDJ-MED-28ec730d-2
0.768
RAL-THA-e002e396-11
0.766
MAT-POS-e6dd326d-9
0.758
MAT-POS-e6dd326d-4
0.758
EDJ-MED-424a8a89-2
0.750
EDJ-MED-f893e2a1-3
0.747
EDJ-MED-28ec730d-1
0.745
MAT-POS-e6dd326d-12
0.742
EDJ-MED-f893e2a1-10
0.735
EDJ-MED-f893e2a1-4
0.735
KAD-UNI-cb0f2bbc-22
0.731
MAT-POS-61f37a1a-3
0.731
MAT-POS-e6dd326d-7
0.730
MAT-POS-e6dd326d-5
0.727
MAT-POS-e6dd326d-8
0.724
MAT-POS-45b13633-5
0.714
EDJ-MED-8c98ee63-2
0.714
EDJ-MED-15e90dfc-6
0.714
EDJ-MED-4c7486ba-4
0.713
EDG-MED-70ae9412-2
0.713
EDJ-MED-4c7486ba-1
0.713
EDG-MED-971238d3-2
0.713
MAT-POS-9db1e783-2
0.713
EDJ-MED-f893e2a1-2
0.712
EDJ-MED-15e90dfc-1
0.712
EDJ-MED-15e90dfc-4
0.712
EDJ-MED-f893e2a1-1
0.712
RAL-THA-e002e396-2
0.711
RAL-THA-58fba2bc-3
0.708
EDG-MED-971238d3-3
0.708
EDJ-MED-40433386-4
0.706
EDJ-MED-15e90dfc-5
0.706
MAT-POS-45b13633-1
0.705
MAT-POS-2bb0cf2b-1
0.705
EDG-MED-971238d3-5
0.705
MAT-POS-e6dd326d-1
0.705
EDJ-MED-40433386-10
0.703
DAR-DIA-ecdbc7dd-16
0.703
MAT-POS-e6dd326d-3
0.701
MAT-POS-45b13633-3
0.701
EDJ-MED-15e90dfc-2
0.699
EDJ-MED-f893e2a1-7
0.698
EDJ-MED-f893e2a1-6
0.698
KAD-UNI-b13decd3-3
0.698
MAT-POS-24589f88-12
0.698
MAT-POS-5d65ec79-1
0.697
MAT-POS-f9802937-4
0.697
MAT-POS-f9802937-3
0.697
MAT-POS-e6dd326d-14
0.695
RAL-THA-e002e396-1
0.694
KAD-UNI-b13decd3-10
0.694
JAG-UCB-706446eb-3
0.691
EDG-MED-971238d3-6
0.691
EDG-MED-971238d3-10
0.691
RAL-THA-58fba2bc-1
0.691
MAT-POS-45b13633-4
0.691
EDG-MED-971238d3-9
0.691
RAL-THA-e002e396-12
0.690
EDJ-MED-f893e2a1-9
0.689
MAT-POS-f9802937-5
0.687
MAT-POS-5d65ec79-2
0.687
MAT-POS-f9802937-6
0.687
DAR-DIA-ecdbc7dd-13
0.684
KAD-UNI-b13decd3-9
0.682
MAT-POS-61f37a1a-6
0.681
KAD-UNI-cb0f2bbc-16
0.681
KAD-UNI-cb0f2bbc-10
0.679
MAT-POS-61f37a1a-1
0.679
EDJ-MED-40433386-3
0.676
MAT-POS-3b97339c-1
0.676
EDJ-MED-40433386-7
0.676
EDJ-MED-4c7486ba-9
0.676
EDJ-MED-4c7486ba-12
0.676
EDJ-MED-4c7486ba-3
0.676
EDJ-MED-4c7486ba-2
0.676
EDJ-MED-4c7486ba-5
0.676
EDJ-MED-4c7486ba-6
0.676
EDG-MED-70ae9412-1
0.676
KAD-UNI-b13decd3-12
0.676
MAT-POS-a3f7f96a-9
0.675
KAD-UNI-b13decd3-7
0.675
KAD-UNI-cb0f2bbc-9
0.675
RAL-THA-e002e396-5
0.673
ALP-POS-477dc5b7-3
0.673
EDG-MED-971238d3-8
0.670
DAR-DIA-ecdbc7dd-4
0.670
RAL-THA-e002e396-6
0.670
EDG-MED-971238d3-7
0.670
DAR-DIA-6a508060-13
0.670
JAG-UCB-706446eb-4
0.670