Molecular Properties | |
SMILES: | Cn1nnnc1COC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 464.14 |
Fraction sp3: | 0.26 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 104.05 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-60df06f3-1
0.782
RAL-THA-e002e396-12
0.740
EDJ-MED-fcba3f31-10
0.736
ALP-POS-9c80c481-1
0.729
MAT-POS-fc9ede84-1
0.716
EDJ-MED-fcba3f31-3
0.712
RAL-THA-e002e396-11
0.712
EDJ-MED-fcba3f31-12
0.696
EDJ-MED-fcba3f31-4
0.685
EDJ-MED-fcba3f31-5
0.685
EDJ-MED-fcba3f31-2
0.679
EDJ-MED-00143744-2
0.670
MAT-POS-e6dd326d-2
0.667
MAT-POS-45b13633-2
0.667
RAL-THA-e002e396-13
0.664
EDG-MED-971238d3-2
0.648
MAT-POS-9db1e783-2
0.648
LEE-CAM-7ab9b158-3
0.647
MAT-POS-e6dd326d-3
0.639
MAT-POS-45b13633-3
0.639
EDJ-MED-fcba3f31-9
0.639
EDJ-MED-fcba3f31-6
0.633
LEE-CAM-7ab9b158-2
0.630
EDJ-MED-fcba3f31-8
0.629
MAT-POS-e6dd326d-9
0.627
MAT-POS-f9802937-6
0.627
DAR-DIA-ecdbc7dd-4
0.627
MAT-POS-f9802937-5
0.627
MAT-POS-5d65ec79-2
0.627
MAT-POS-45b13633-1
0.626
MAT-POS-e6dd326d-1
0.626
EDG-MED-971238d3-5
0.626
MAT-POS-2bb0cf2b-1
0.626
MAT-POS-e6dd326d-6
0.625
LEE-CAM-7ab9b158-1
0.625
DAR-DIA-ecdbc7dd-13
0.624
EDJ-MED-fcba3f31-11
0.623
DAR-DIA-ecdbc7dd-2
0.623
EDJ-MED-28ec730d-2
0.622
MAT-POS-45b13633-5
0.622
RAL-THA-e002e396-2
0.618
RAL-THA-e002e396-1
0.618
DAR-DIA-ecdbc7dd-3
0.616
EDG-MED-971238d3-9
0.615
JAG-UCB-706446eb-3
0.615
EDG-MED-971238d3-3
0.615
EDG-MED-971238d3-10
0.615
RAL-THA-58fba2bc-1
0.615
MAT-POS-45b13633-4
0.615
EDG-MED-971238d3-6
0.615
RAL-THA-58fba2bc-3
0.615
EDJ-MED-fcba3f31-7
0.613
MAT-POS-e6dd326d-4
0.613
EDJ-MED-f893e2a1-8
0.613
DAR-DIA-ecdbc7dd-18
0.609
EDJ-MED-424a8a89-2
0.607
MAT-POS-f9802937-3
0.607
MAT-POS-5d65ec79-1
0.607
MAT-POS-f9802937-4
0.607
EDJ-MED-28ec730d-1
0.605
DAR-DIA-ecdbc7dd-11
0.605
ALP-POS-2da19ca7-4
0.603
KAD-UNI-8a629cb0-5
0.603
ALP-UNI-76695c4f-2
0.603
ALP-POS-477dc5b7-3
0.602
RAL-THA-e002e396-5
0.602
MAT-POS-e6dd326d-12
0.602
EDJ-MED-d203f206-20
0.602
MAT-POS-e6dd326d-10
0.600
JAG-UCB-706446eb-2
0.600
ALP-UNI-0676e700-4
0.600
EDJ-MED-15e90dfc-3
0.600
JAG-UCB-706446eb-4
0.600
EDJ-MED-424a8a89-1
0.600
EDG-MED-971238d3-8
0.598
RAL-THA-e002e396-6
0.598
EDG-MED-971238d3-7
0.598
KAD-UNI-8a629cb0-47
0.597
RAL-THA-e002e396-7
0.596
CHO-MSK-a31cca77-2
0.595
MAT-POS-e6dd326d-7
0.595
EDG-MED-70ae9412-2
0.595
EDJ-MED-4c7486ba-1
0.595
EDJ-MED-4c7486ba-4
0.595
EDJ-MED-fcba3f31-1
0.593
ALP-POS-5bb456a5-4
0.592
LEE-CAM-7ab9b158-4
0.592
ALP-POS-5bb456a5-3
0.592
ALP-POS-2da19ca7-6
0.592
MAT-POS-e6dd326d-5
0.591
DAR-DIA-ecdbc7dd-5
0.591
CHO-MSK-a31cca77-4
0.588
EDJ-MED-d203f206-2
0.588
MAT-POS-e6dd326d-8
0.588
MAT-POS-e6dd326d-11
0.588
EDJ-MED-8c98ee63-2
0.587
DAR-DIA-6a508060-13
0.586
MAT-POS-e6dd326d-13
0.586
JAG-UCB-706446eb-1
0.585
EDJ-MED-8c98ee63-1
0.585