Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CNC2CCOCC2)CCOc2ccc(Cl)cc21 |
MW: | 451.17 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 72.48 |
cLogP: | 4.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-45b13633-2
0.755
MAT-POS-e6dd326d-2
0.755
DAR-DIA-ecdbc7dd-16
0.740
EDJ-MED-f893e2a1-8
0.724
MAT-POS-e6dd326d-9
0.724
MAT-POS-e6dd326d-4
0.724
EDJ-MED-424a8a89-2
0.717
MAT-POS-e6dd326d-5
0.713
MAT-POS-e6dd326d-12
0.710
MAT-POS-e6dd326d-8
0.710
MAT-POS-e6dd326d-11
0.710
EDJ-MED-40433386-5
0.705
MAT-POS-e6dd326d-6
0.703
EDG-MED-971238d3-2
0.698
MAT-POS-9db1e783-2
0.698
RAL-THA-58fba2bc-3
0.694
EDG-MED-971238d3-3
0.694
ALP-POS-477dc5b7-3
0.693
MAT-POS-e6dd326d-1
0.691
EDG-MED-971238d3-5
0.691
MAT-POS-2bb0cf2b-1
0.691
MAT-POS-45b13633-1
0.691
EDJ-MED-424a8a89-1
0.689
MAT-POS-e6dd326d-10
0.689
MAT-POS-e6dd326d-13
0.689
EDJ-MED-40433386-10
0.689
EDJ-MED-15e90dfc-3
0.689
DAR-DIA-ecdbc7dd-13
0.687
EDJ-MED-4c7486ba-1
0.683
EDJ-MED-4c7486ba-4
0.683
EDJ-MED-f893e2a1-3
0.683
EDG-MED-70ae9412-2
0.683
EDJ-MED-15e90dfc-7
0.683
MAT-POS-e6dd326d-7
0.683
DAR-DIA-ecdbc7dd-5
0.680
EDJ-MED-40433386-3
0.679
MAT-POS-3b97339c-1
0.679
EDJ-MED-4c7486ba-12
0.679
EDJ-MED-40433386-7
0.679
EDJ-MED-4c7486ba-9
0.679
JAG-UCB-706446eb-3
0.677
MAT-POS-45b13633-4
0.677
EDG-MED-971238d3-6
0.677
EDG-MED-971238d3-9
0.677
RAL-THA-58fba2bc-1
0.677
EDG-MED-971238d3-10
0.677
EDJ-MED-15e90dfc-5
0.676
EDJ-MED-40433386-4
0.676
EDG-MED-971238d3-7
0.673
DAR-DIA-ecdbc7dd-4
0.673
EDJ-MED-f893e2a1-4
0.673
MAT-POS-45b13633-3
0.670
MAT-POS-e6dd326d-3
0.670
EDJ-MED-8c98ee63-1
0.670
EDJ-MED-15e90dfc-2
0.670
EDJ-MED-40433386-8
0.670
EDJ-MED-15e90dfc-6
0.670
ALP-UNI-0676e700-7
0.670
MAT-POS-45b13633-5
0.667
EDJ-MED-f893e2a1-2
0.667
RAL-THA-e002e396-1
0.663
RAL-THA-e002e396-11
0.663
RAL-THA-e002e396-2
0.663
DAR-DIA-ecdbc7dd-3
0.660
RAL-THA-e002e396-5
0.660
EDJ-MED-40433386-6
0.658
EDJ-MED-f893e2a1-10
0.657
MAT-POS-5d65ec79-2
0.657
MAT-POS-f9802937-5
0.657
MAT-POS-f9802937-6
0.657
RAL-THA-e002e396-6
0.657
EDG-MED-971238d3-8
0.657
KAD-UNI-cb0f2bbc-18
0.655
MAT-POS-61f37a1a-9
0.655
EDJ-MED-f893e2a1-6
0.655
EDJ-MED-15e90dfc-4
0.651
EDJ-MED-f893e2a1-1
0.651
EDJ-MED-15e90dfc-1
0.651
MAT-POS-e6dd326d-14
0.651
MAT-POS-f9802937-4
0.650
EDJ-MED-28ec730d-2
0.650
MAT-POS-5d65ec79-1
0.650
MAT-POS-f9802937-3
0.650
VLA-UCB-05e51b3f-13
0.648
DAR-DIA-6a508060-9
0.648
VLA-UCB-50c39ae8-10
0.648
DAR-DIA-ecdbc7dd-11
0.648
RAL-THA-e002e396-8
0.648
EDJ-MED-d203f206-31
0.646
ALP-UNI-0676e700-16
0.646
RAL-THA-e002e396-12
0.644
ALP-UNI-0676e700-19
0.643
KAD-UNI-8a629cb0-41
0.643
ALP-UNI-0676e700-11
0.643
EDJ-MED-fcba3f31-8
0.642
DAR-DIA-6a508060-13
0.642
JAG-UCB-706446eb-2
0.642
ALP-UNI-0676e700-24
0.640
KAD-UNI-cb0f2bbc-22
0.640
KAD-UNI-b13decd3-3
0.640