Molecular Properties | |
SMILES: | Cn1cc(CC(=O)NCC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)nn1 |
MW: | 504.17 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 111.03 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
KAD-UNI-8a629cb0-4
0.730
KAD-UNI-8a629cb0-11
0.700
EDG-MED-971238d3-9
0.695
JAG-UCB-706446eb-3
0.695
DAR-DIA-6a508060-13
0.691
JAG-UCB-706446eb-2
0.691
EDJ-MED-28ec730d-2
0.685
EDG-MED-971238d3-6
0.679
RAL-THA-58fba2bc-3
0.679
EDG-MED-971238d3-3
0.679
EDG-MED-971238d3-8
0.676
KAD-UNI-8a629cb0-35
0.667
EDJ-MED-28ec730d-1
0.667
EDG-MED-971238d3-7
0.661
JAG-UCB-706446eb-1
0.658
KAD-UNI-8a629cb0-3
0.653
KAD-UNI-8a629cb0-19
0.650
ALP-POS-477dc5b7-3
0.649
JAG-UCB-706446eb-4
0.646
KAD-UNI-8a629cb0-18
0.640
MAT-POS-45b13633-2
0.639
MAT-POS-e6dd326d-2
0.639
KAD-UNI-8a629cb0-32
0.636
RAL-THA-e002e396-11
0.636
ALP-UNI-0676e700-23
0.635
KAD-UNI-8a629cb0-24
0.631
MAT-POS-e6dd326d-9
0.631
KAD-UNI-8a629cb0-28
0.630
EDJ-MED-424a8a89-2
0.625
KAD-UNI-8a629cb0-22
0.622
VLA-UCB-34f3ed0c-10
0.622
KAD-UNI-8a629cb0-34
0.621
MAT-POS-9db1e783-2
0.620
EDG-MED-971238d3-2
0.620
MAT-POS-e6dd326d-8
0.619
MAT-POS-e6dd326d-12
0.619
MAT-POS-e6dd326d-4
0.616
MAT-POS-5d65ec79-2
0.616
EDJ-MED-f893e2a1-8
0.616
MAT-POS-f9802937-6
0.616
MAT-POS-f9802937-5
0.616
MAT-POS-e6dd326d-1
0.615
EDG-MED-971238d3-5
0.615
MAT-POS-45b13633-1
0.615
MAT-POS-2bb0cf2b-1
0.615
MAT-POS-e6dd326d-6
0.614
KAD-UNI-8a629cb0-26
0.613
KAD-UNI-8a629cb0-39
0.613
MAT-POS-e6dd326d-3
0.613
MAT-POS-45b13633-3
0.613
DAR-DIA-ecdbc7dd-13
0.613
EDJ-MED-4c7486ba-1
0.612
EDJ-MED-4c7486ba-4
0.612
EDG-MED-70ae9412-2
0.612
KAD-UNI-8a629cb0-27
0.612
MAT-POS-f9802937-3
0.611
MAT-POS-f9802937-4
0.611
MAT-POS-5d65ec79-1
0.611
VLA-UCB-05e51b3f-13
0.610
DAR-DIA-6a508060-9
0.610
VLA-UCB-50c39ae8-10
0.610
RAL-THA-e002e396-1
0.607
RAL-THA-e002e396-2
0.607
RAL-THA-e002e396-5
0.605
RAL-THA-e002e396-12
0.605
KAD-UNI-8a629cb0-12
0.605
RAL-THA-58fba2bc-1
0.604
EDG-MED-971238d3-10
0.604
MAT-POS-45b13633-4
0.604
MAT-POS-e6dd326d-10
0.603
EDJ-MED-40433386-10
0.603
EDJ-MED-424a8a89-1
0.603
EDJ-MED-15e90dfc-3
0.603
EDJ-MED-8c98ee63-2
0.603
DAR-DIA-ecdbc7dd-4
0.602
KAD-UNI-8a629cb0-36
0.600
ALP-POS-9c80c481-1
0.598
MAT-POS-e6dd326d-7
0.598
DAR-DIA-ecdbc7dd-18
0.598
DAR-DIA-ecdbc7dd-2
0.598
KAD-UNI-8a629cb0-16
0.597
EDJ-MED-00143744-1
0.597
MAT-POS-45b13633-5
0.596
MAT-POS-e6dd326d-5
0.595
RAL-THA-e002e396-13
0.595
KAD-UNI-8a629cb0-14
0.593
MAT-POS-e6dd326d-11
0.591
DAR-DIA-ecdbc7dd-3
0.591
KAD-UNI-8a629cb0-38
0.591
MAT-POS-e6dd326d-13
0.590
DAR-DIA-ecdbc7dd-16
0.590
EDJ-MED-8c98ee63-1
0.588
MAT-POS-fc9ede84-1
0.588
RAL-THA-e002e396-6
0.588
MAT-POS-e6dd326d-14
0.587
RAL-THA-e002e396-7
0.586
KAD-UNI-8a629cb0-44
0.586
ALP-UNI-0676e700-17
0.586
EDJ-MED-4c7486ba-3
0.585
EDJ-MED-4c7486ba-6
0.585