Molecular Properties | |
SMILES: | COCCC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 410.14 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 60.45 |
cLogP: | 4.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
EDJ-MED-28ec730d-2
0.876
EDG-MED-971238d3-8
0.824
EDG-MED-971238d3-7
0.824
JAG-UCB-706446eb-3
0.791
EDG-MED-971238d3-3
0.791
EDG-MED-971238d3-6
0.791
EDG-MED-971238d3-9
0.791
RAL-THA-58fba2bc-3
0.791
JAG-UCB-706446eb-4
0.763
EDJ-MED-8c98ee63-1
0.758
RAL-THA-e002e396-11
0.755
ALP-POS-477dc5b7-3
0.750
VLA-UCB-34f3ed0c-10
0.745
EDJ-MED-424a8a89-1
0.745
JAG-UCB-706446eb-2
0.745
EDJ-MED-15e90dfc-3
0.745
DAR-DIA-6a508060-13
0.745
MAT-POS-45b13633-2
0.723
MAT-POS-e6dd326d-2
0.723
MAT-POS-45b13633-5
0.722
EDG-MED-971238d3-2
0.720
MAT-POS-9db1e783-2
0.720
VLA-UCB-05e51b3f-13
0.716
DAR-DIA-6a508060-9
0.716
VLA-UCB-50c39ae8-10
0.716
MAT-POS-2bb0cf2b-1
0.713
MAT-POS-45b13633-1
0.713
EDG-MED-971238d3-5
0.713
MAT-POS-e6dd326d-1
0.713
MAT-POS-e6dd326d-3
0.708
MAT-POS-45b13633-3
0.708
MAT-POS-e6dd326d-6
0.707
JAG-UCB-706446eb-1
0.706
MAT-POS-5d65ec79-1
0.704
MAT-POS-f9802937-4
0.704
MAT-POS-f9802937-3
0.704
EDJ-MED-424a8a89-2
0.704
KAD-UNI-8a629cb0-26
0.702
KAD-UNI-8a629cb0-39
0.702
RAL-THA-e002e396-2
0.701
RAL-THA-e002e396-1
0.701
KAD-UNI-8a629cb0-27
0.698
EDG-MED-971238d3-10
0.698
MAT-POS-45b13633-4
0.698
RAL-THA-58fba2bc-1
0.698
RAL-THA-e002e396-5
0.697
RAL-THA-e002e396-12
0.697
MAT-POS-f9802937-5
0.694
MAT-POS-e6dd326d-4
0.694
MAT-POS-e6dd326d-9
0.694
MAT-POS-5d65ec79-2
0.694
MAT-POS-f9802937-6
0.694
EDJ-MED-f893e2a1-8
0.694
MAT-POS-e6dd326d-10
0.693
KAD-UNI-8a629cb0-14
0.692
DAR-DIA-ecdbc7dd-13
0.691
KAD-UNI-8a629cb0-36
0.682
MAT-POS-e6dd326d-12
0.680
KAD-UNI-8a629cb0-16
0.679
DAR-DIA-ecdbc7dd-4
0.677
RAL-THA-e002e396-6
0.677
RAL-THA-e002e396-7
0.673
KAD-UNI-8a629cb0-4
0.673
DAR-DIA-ecdbc7dd-18
0.670
EDJ-MED-15e90dfc-7
0.670
ALP-POS-9c80c481-1
0.670
MAT-POS-e6dd326d-7
0.670
KAD-UNI-8a629cb0-38
0.670
KAD-UNI-8a629cb0-35
0.667
KAD-UNI-8a629cb0-47
0.667
MAT-POS-e6dd326d-5
0.667
RAL-THA-e002e396-13
0.667
KAD-UNI-8a629cb0-44
0.664
DAR-DIA-ecdbc7dd-3
0.663
MAT-POS-e6dd326d-8
0.663
MAT-POS-e6dd326d-11
0.663
EDJ-MED-d203f206-20
0.660
MAT-POS-e6dd326d-13
0.660
EDJ-MED-00143744-2
0.657
MAT-POS-fc9ede84-1
0.657
EDJ-MED-fcba3f31-4
0.657
KAD-UNI-8a629cb0-1
0.655
DAR-DIA-ecdbc7dd-2
0.654
EDJ-MED-4c7486ba-1
0.654
EDG-MED-70ae9412-2
0.654
EDJ-MED-4c7486ba-4
0.654
KAD-UNI-8a629cb0-3
0.652
KAD-UNI-8a629cb0-48
0.652
DAR-DIA-ecdbc7dd-5
0.650
DAR-DIA-ecdbc7dd-11
0.650
RAL-THA-e002e396-8
0.650
KAD-UNI-8a629cb0-19
0.649
KAD-UNI-8a629cb0-29
0.649
KAD-UNI-8a629cb0-32
0.649
EDJ-MED-6d9ff7d0-1
0.648
EDJ-MED-6d9ff7d0-4
0.644
DAR-DIA-ecdbc7dd-16
0.644
EDJ-MED-40433386-10
0.644
KAD-UNI-8a629cb0-24
0.643
EDJ-MED-fcba3f31-5
0.642