Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1 |
MW: | 478.18 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 74.77 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-ecdbc7dd-13
0.908
DAR-DIA-ecdbc7dd-2
0.851
DAR-DIA-ecdbc7dd-4
0.846
DAR-DIA-ecdbc7dd-3
0.828
DAR-DIA-ecdbc7dd-11
0.811
DAR-DIA-ecdbc7dd-5
0.811
MAT-POS-45b13633-2
0.708
MAT-POS-e6dd326d-2
0.708
EDG-MED-971238d3-2
0.705
MAT-POS-9db1e783-2
0.705
JAG-UCB-706446eb-3
0.701
EDG-MED-971238d3-3
0.701
EDG-MED-971238d3-9
0.701
EDG-MED-971238d3-6
0.701
RAL-THA-58fba2bc-3
0.701
MAT-POS-2bb0cf2b-1
0.698
MAT-POS-e6dd326d-1
0.698
EDG-MED-971238d3-5
0.698
MAT-POS-45b13633-1
0.698
MAT-POS-e6dd326d-9
0.697
MAT-POS-e6dd326d-3
0.694
MAT-POS-45b13633-3
0.694
EDJ-MED-28ec730d-2
0.690
EDJ-MED-424a8a89-2
0.690
RAL-THA-e002e396-11
0.687
RAL-THA-e002e396-1
0.687
RAL-THA-e002e396-2
0.687
MAT-POS-45b13633-4
0.684
EDG-MED-971238d3-10
0.684
RAL-THA-58fba2bc-1
0.684
RAL-THA-e002e396-5
0.683
DAR-DIA-ecdbc7dd-19
0.683
EDJ-MED-f893e2a1-8
0.680
EDG-MED-971238d3-7
0.680
MAT-POS-f9802937-5
0.680
EDG-MED-971238d3-8
0.680
MAT-POS-f9802937-6
0.680
MAT-POS-5d65ec79-2
0.680
MAT-POS-e6dd326d-4
0.680
MAT-POS-45b13633-5
0.673
MAT-POS-f9802937-3
0.673
MAT-POS-5d65ec79-1
0.673
MAT-POS-f9802937-4
0.673
EDJ-MED-28ec730d-1
0.670
MAT-POS-e6dd326d-12
0.667
MAT-POS-e6dd326d-8
0.667
ALP-POS-477dc5b7-3
0.667
RAL-THA-e002e396-12
0.667
DAR-DIA-6a508060-13
0.663
JAG-UCB-706446eb-2
0.663
JAG-UCB-706446eb-4
0.663
RAL-THA-e002e396-6
0.663
ALP-UNI-3496895b-8
0.661
ALP-UNI-8e43a71e-8
0.661
MAT-POS-e6dd326d-6
0.660
RAL-THA-e002e396-7
0.660
KAD-UNI-8a629cb0-26
0.657
KAD-UNI-8a629cb0-27
0.655
MAT-POS-e6dd326d-5
0.654
MAT-POS-e6dd326d-11
0.650
ALP-POS-2da19ca7-1
0.649
ALP-UNI-8e43a71e-7
0.649
KAD-UNI-8a629cb0-33
0.649
ALP-POS-5bb456a5-10
0.649
ALP-POS-5bb456a5-9
0.649
ALP-UNI-3496895b-7
0.649
MAT-POS-e6dd326d-10
0.648
EDJ-MED-424a8a89-1
0.648
MAT-POS-e6dd326d-13
0.648
DAR-DIA-ecdbc7dd-16
0.648
EDJ-MED-15e90dfc-3
0.648
DAR-DIA-ecdbc7dd-1
0.645
EDJ-MED-d203f206-37
0.645
KAD-UNI-8a629cb0-15
0.643
ALP-UNI-8e43a71e-6
0.643
KAD-UNI-80f122c8-4
0.643
ALP-UNI-76695c4f-7
0.643
ALP-UNI-3496895b-6
0.643
KAD-UNI-8a629cb0-39
0.642
EDJ-MED-15e90dfc-7
0.642
ALP-POS-9c80c481-1
0.642
EDJ-MED-4c7486ba-1
0.642
EDJ-MED-4c7486ba-4
0.642
EDG-MED-70ae9412-2
0.642
MAT-POS-e6dd326d-7
0.642
KAD-UNI-8a629cb0-8
0.640
ALP-UNI-76695c4f-5
0.640
VLA-UCB-05e51b3f-13
0.639
DAR-DIA-6a508060-9
0.639
VLA-UCB-50c39ae8-10
0.639
RAL-THA-e002e396-13
0.638
RAL-THA-e002e396-8
0.638
KAD-UNI-8a629cb0-16
0.637
VLA-UCB-34f3ed0c-10
0.636
EDJ-MED-f893e2a1-9
0.636
EDG-MED-ba1ac7b9-32
0.635
ALP-UNI-3496895b-10
0.635
KAD-UNI-8a629cb0-21
0.635
ALP-UNI-76695c4f-9
0.635
ALP-UNI-8e43a71e-10
0.635