Molecular Properties | |
SMILES: | CC(C)NCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 409.16 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 63.25 |
cLogP: | 4.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-e6dd326d-2
0.828
MAT-POS-45b13633-2
0.828
EDJ-MED-f893e2a1-8
0.791
MAT-POS-e6dd326d-4
0.791
MAT-POS-e6dd326d-9
0.791
MAT-POS-e6dd326d-12
0.774
MAT-POS-e6dd326d-8
0.774
MAT-POS-e6dd326d-6
0.766
RAL-THA-58fba2bc-3
0.758
EDG-MED-971238d3-3
0.758
MAT-POS-e6dd326d-5
0.758
MAT-POS-e6dd326d-11
0.755
EDJ-MED-424a8a89-1
0.750
MAT-POS-e6dd326d-10
0.750
MAT-POS-e6dd326d-13
0.750
EDJ-MED-15e90dfc-3
0.750
EDG-MED-971238d3-2
0.744
MAT-POS-9db1e783-2
0.744
EDJ-MED-4c7486ba-1
0.742
EDG-MED-70ae9412-2
0.742
EDJ-MED-15e90dfc-7
0.742
MAT-POS-e6dd326d-7
0.742
EDJ-MED-4c7486ba-4
0.742
EDJ-MED-f893e2a1-3
0.742
EDG-MED-971238d3-9
0.739
EDG-MED-971238d3-6
0.739
JAG-UCB-706446eb-3
0.739
EDG-MED-971238d3-5
0.736
MAT-POS-e6dd326d-1
0.736
MAT-POS-45b13633-1
0.736
MAT-POS-2bb0cf2b-1
0.736
EDJ-MED-40433386-4
0.735
DAR-DIA-ecdbc7dd-4
0.734
EDG-MED-971238d3-7
0.734
EDJ-MED-40433386-10
0.732
DAR-DIA-ecdbc7dd-16
0.732
MAT-POS-45b13633-3
0.731
MAT-POS-e6dd326d-3
0.731
DAR-DIA-ecdbc7dd-13
0.731
EDJ-MED-40433386-5
0.730
EDJ-MED-8c98ee63-1
0.727
MAT-POS-45b13633-5
0.726
EDJ-MED-28ec730d-2
0.726
RAL-THA-e002e396-1
0.723
RAL-THA-e002e396-11
0.723
RAL-THA-e002e396-2
0.723
MAT-POS-45b13633-4
0.720
RAL-THA-58fba2bc-1
0.720
EDG-MED-971238d3-10
0.720
DAR-DIA-ecdbc7dd-3
0.719
ALP-POS-477dc5b7-3
0.719
EDJ-MED-15e90dfc-5
0.717
EDJ-MED-f893e2a1-9
0.717
MAT-POS-f9802937-5
0.716
MAT-POS-5d65ec79-2
0.716
EDG-MED-971238d3-8
0.716
MAT-POS-f9802937-6
0.716
JAG-UCB-706446eb-4
0.714
DAR-DIA-6a508060-13
0.714
EDJ-MED-f893e2a1-10
0.713
EDJ-MED-15e90dfc-2
0.710
MAT-POS-f9802937-4
0.708
MAT-POS-5d65ec79-1
0.708
MAT-POS-f9802937-3
0.708
MAT-POS-e6dd326d-14
0.706
EDJ-MED-28ec730d-1
0.704
RAL-THA-e002e396-8
0.704
DAR-DIA-ecdbc7dd-11
0.704
EDJ-MED-4c7486ba-9
0.703
EDJ-MED-40433386-3
0.703
EDJ-MED-4c7486ba-12
0.703
EDJ-MED-40433386-7
0.703
MAT-POS-3b97339c-1
0.703
RAL-THA-e002e396-12
0.701
RAL-THA-e002e396-5
0.701
RAL-THA-e002e396-6
0.698
JAG-UCB-706446eb-2
0.697
EDJ-MED-f893e2a1-4
0.696
RAL-THA-e002e396-7
0.694
EDJ-MED-8c98ee63-2
0.692
EDJ-MED-f893e2a1-7
0.692
DAR-DIA-ecdbc7dd-18
0.690
DAR-DIA-ecdbc7dd-2
0.690
EDJ-MED-15e90dfc-1
0.689
EDJ-MED-f893e2a1-2
0.689
EDJ-MED-15e90dfc-4
0.689
EDJ-MED-f893e2a1-1
0.689
DAR-DIA-ecdbc7dd-5
0.687
VLA-UCB-05e51b3f-13
0.686
DAR-DIA-6a508060-9
0.686
VLA-UCB-50c39ae8-10
0.686
ALP-UNI-0676e700-30
0.679
EDJ-MED-fcba3f31-4
0.676
EDJ-MED-fcba3f31-5
0.676
EDJ-MED-15e90dfc-6
0.676
EDJ-MED-40433386-8
0.676
EDJ-MED-f893e2a1-6
0.676
KAD-UNI-cb0f2bbc-22
0.676
MAT-POS-61f37a1a-3
0.676
MAT-POS-24589f88-12
0.676