Molecular Properties | |
SMILES: | O=C1CC[C@H](COC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)N1 |
MW: | 465.15 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 89.55 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-fcba3f31-6
0.741
RAL-THA-e002e396-12
0.731
RAL-THA-e002e396-11
0.718
EDJ-MED-15e90dfc-6
0.705
ALP-POS-9c80c481-1
0.704
EDJ-MED-fcba3f31-10
0.696
EDJ-MED-fcba3f31-5
0.691
EDJ-MED-fcba3f31-4
0.691
MAT-POS-fc9ede84-1
0.691
EDJ-MED-fcba3f31-7
0.690
EDJ-MED-fcba3f31-2
0.685
EDJ-MED-fcba3f31-11
0.684
EDJ-MED-fcba3f31-8
0.679
LEE-CAM-7ab9b158-4
0.675
EDJ-MED-fcba3f31-3
0.673
EDJ-MED-fcba3f31-12
0.672
RAL-THA-e002e396-13
0.670
EDJ-MED-00143744-2
0.661
EDJ-MED-60df06f3-1
0.653
EDJ-MED-fcba3f31-1
0.653
LEE-CAM-7ab9b158-3
0.653
MAT-POS-45b13633-3
0.645
MAT-POS-e6dd326d-3
0.645
EDJ-MED-6d9ff7d0-8
0.640
EDJ-MED-00143744-1
0.639
MAT-POS-9db1e783-2
0.638
EDG-MED-971238d3-2
0.638
ALP-POS-477dc5b7-3
0.636
LEE-CAM-7ab9b158-2
0.635
DAR-DIA-ecdbc7dd-4
0.633
MAT-POS-e6dd326d-1
0.632
MAT-POS-45b13633-1
0.632
EDG-MED-971238d3-5
0.632
MAT-POS-2bb0cf2b-1
0.632
DAR-DIA-ecdbc7dd-13
0.630
EDJ-MED-28ec730d-2
0.627
MAT-POS-45b13633-5
0.627
MAT-POS-e6dd326d-2
0.626
MAT-POS-45b13633-2
0.626
MAT-POS-e6dd326d-5
0.625
EDJ-MED-6d9ff7d0-7
0.624
DAR-DIA-ecdbc7dd-3
0.622
RAL-THA-58fba2bc-3
0.620
RAL-THA-58fba2bc-1
0.620
EDG-MED-971238d3-10
0.620
MAT-POS-45b13633-4
0.620
EDG-MED-971238d3-9
0.620
JAG-UCB-706446eb-3
0.620
EDG-MED-971238d3-3
0.620
EDG-MED-971238d3-6
0.620
MAT-POS-f9802937-5
0.618
MAT-POS-f9802937-6
0.618
MAT-POS-5d65ec79-2
0.618
LEE-CAM-7ab9b158-1
0.617
MAT-POS-e6dd326d-6
0.616
KAD-UNI-8a629cb0-29
0.613
EDJ-MED-28ec730d-1
0.611
DAR-DIA-ecdbc7dd-11
0.611
RAL-THA-e002e396-1
0.609
RAL-THA-e002e396-2
0.609
MAT-POS-e6dd326d-10
0.605
EDJ-MED-424a8a89-1
0.605
DAR-DIA-ecdbc7dd-16
0.605
EDJ-MED-15e90dfc-3
0.605
EDJ-MED-f893e2a1-6
0.605
MAT-POS-e6dd326d-4
0.604
MAT-POS-e6dd326d-9
0.604
EDG-MED-971238d3-7
0.604
EDJ-MED-f893e2a1-8
0.604
RAL-THA-e002e396-6
0.604
EDG-MED-971238d3-8
0.604
EDJ-MED-15e90dfc-2
0.603
JAG-UCB-706446eb-6
0.602
EDJ-MED-40433386-9
0.600
DAR-DIA-ecdbc7dd-2
0.600
VLA-UCB-50c39ae8-10
0.598
VLA-UCB-05e51b3f-13
0.598
DAR-DIA-6a508060-9
0.598
MAT-POS-f9802937-4
0.598
EDJ-MED-424a8a89-2
0.598
MAT-POS-5d65ec79-1
0.598
MAT-POS-f9802937-3
0.598
DAR-DIA-ecdbc7dd-5
0.596
EDJ-MED-d203f206-29
0.595
EDJ-MED-f893e2a1-9
0.595
ALP-UNI-0676e700-24
0.593
EDJ-MED-40433386-5
0.593
RAL-THA-e002e396-5
0.593
MAT-POS-e6dd326d-12
0.593
MAT-POS-e6dd326d-8
0.593
MAT-POS-e6dd326d-11
0.593
JAG-UCB-706446eb-4
0.591
JAG-UCB-706446eb-2
0.591
EDJ-MED-8c98ee63-1
0.590
RAL-THA-e002e396-7
0.588
EDJ-MED-d203f206-19
0.587
RAL-THA-e002e396-3
0.586
MAT-POS-e6dd326d-7
0.586
EDJ-MED-4c7486ba-4
0.586
EDJ-MED-4c7486ba-1
0.586