Molecular Properties | |
SMILES: | O=C1NCC[C@@H]1COC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 465.15 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 89.55 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-fcba3f31-7
0.761
EDJ-MED-fcba3f31-9
0.741
RAL-THA-e002e396-12
0.724
EDJ-MED-fcba3f31-5
0.716
RAL-THA-e002e396-11
0.712
EDJ-MED-fcba3f31-1
0.704
EDJ-MED-fcba3f31-4
0.700
ALP-POS-9c80c481-1
0.697
EDJ-MED-fcba3f31-10
0.690
MAT-POS-fc9ede84-1
0.685
EDJ-MED-fcba3f31-2
0.679
EDJ-MED-fcba3f31-11
0.678
LEE-CAM-7ab9b158-3
0.675
EDJ-MED-fcba3f31-8
0.673
EDJ-MED-00143744-2
0.670
EDJ-MED-fcba3f31-3
0.667
EDJ-MED-fcba3f31-12
0.667
RAL-THA-e002e396-13
0.664
EDJ-MED-d203f206-29
0.658
LEE-CAM-7ab9b158-4
0.656
EDG-MED-971238d3-5
0.642
MAT-POS-e6dd326d-1
0.642
MAT-POS-45b13633-1
0.642
MAT-POS-2bb0cf2b-1
0.642
EDJ-MED-00143744-1
0.633
EDJ-MED-60df06f3-1
0.633
EDG-MED-971238d3-2
0.632
MAT-POS-9db1e783-2
0.632
ALP-POS-477dc5b7-3
0.631
DAR-DIA-ecdbc7dd-4
0.627
MAT-POS-45b13633-3
0.624
MAT-POS-e6dd326d-3
0.624
DAR-DIA-ecdbc7dd-13
0.624
MAT-POS-45b13633-2
0.620
MAT-POS-e6dd326d-2
0.620
EDJ-MED-d203f206-23
0.618
LEE-CAM-7ab9b158-2
0.617
DAR-DIA-ecdbc7dd-3
0.616
RAL-THA-58fba2bc-1
0.615
EDG-MED-971238d3-6
0.615
RAL-THA-58fba2bc-3
0.615
JAG-UCB-706446eb-3
0.615
MAT-POS-45b13633-4
0.615
EDG-MED-971238d3-9
0.615
EDG-MED-971238d3-3
0.615
EDG-MED-971238d3-10
0.615
DAR-DIA-ecdbc7dd-16
0.614
MAT-POS-5d65ec79-2
0.613
MAT-POS-e6dd326d-9
0.613
MAT-POS-f9802937-5
0.613
MAT-POS-f9802937-6
0.613
LEE-CAM-7ab9b158-1
0.612
MAT-POS-e6dd326d-6
0.611
MAT-POS-45b13633-5
0.607
EDJ-MED-28ec730d-2
0.607
DAR-DIA-ecdbc7dd-5
0.605
DAR-DIA-ecdbc7dd-11
0.605
RAL-THA-e002e396-1
0.604
RAL-THA-e002e396-2
0.604
MAT-POS-e6dd326d-8
0.602
MAT-POS-e6dd326d-12
0.602
EDJ-MED-15e90dfc-2
0.598
RAL-THA-e002e396-6
0.598
MAT-POS-e6dd326d-4
0.598
EDG-MED-971238d3-7
0.598
EDG-MED-971238d3-8
0.598
EDJ-MED-f893e2a1-8
0.598
JAG-UCB-706446eb-6
0.597
EDJ-MED-4c7486ba-1
0.595
MAT-POS-e6dd326d-7
0.595
EDJ-MED-4c7486ba-4
0.595
DAR-DIA-ecdbc7dd-2
0.595
EDG-MED-70ae9412-2
0.595
DAR-DIA-6a508060-9
0.593
VLA-UCB-05e51b3f-13
0.593
VLA-UCB-50c39ae8-10
0.593
MAT-POS-f9802937-3
0.593
MAT-POS-f9802937-4
0.593
MAT-POS-5d65ec79-1
0.593
EDJ-MED-424a8a89-2
0.593
ALP-UNI-3496895b-12
0.592
ALP-UNI-8e43a71e-12
0.592
MAT-POS-e6dd326d-5
0.591
EDJ-MED-28ec730d-1
0.591
EDJ-MED-15e90dfc-5
0.590
EDJ-MED-f893e2a1-9
0.590
EDJ-MED-40433386-5
0.588
MAT-POS-e6dd326d-11
0.588
RAL-THA-e002e396-5
0.588
EDJ-MED-15e90dfc-6
0.587
EDJ-MED-f893e2a1-6
0.587
MAT-POS-e6dd326d-10
0.586
JAG-UCB-706446eb-2
0.586
JAG-UCB-706446eb-4
0.586
EDJ-MED-40433386-10
0.586
EDJ-MED-15e90dfc-3
0.586
EDJ-MED-424a8a89-1
0.586
RAL-THA-e002e396-7
0.583
RAL-THA-e002e396-3
0.581
DAR-DIA-ecdbc7dd-18
0.581