Molecular Properties | |
SMILES: | CCS(=O)(=O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 444.09 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.36 |
cLogP: | 3.98 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-b3e365b9-1
RAL-THA-e002e396-1
0.882
RAL-THA-e002e396-8
0.854
RAL-THA-e002e396-5
0.852
RAL-THA-e002e396-6
0.851
RAL-THA-e002e396-7
0.843
RAL-THA-e002e396-3
0.796
MAT-POS-e6dd326d-4
0.769
MAT-POS-e6dd326d-2
0.764
MAT-POS-45b13633-2
0.764
RAL-THA-e002e396-4
0.763
RAL-THA-e002e396-9
0.763
EDG-MED-971238d3-2
0.761
MAT-POS-9db1e783-2
0.761
EDG-MED-971238d3-10
0.756
MAT-POS-45b13633-4
0.756
RAL-THA-58fba2bc-1
0.756
EDG-MED-971238d3-5
0.753
MAT-POS-45b13633-1
0.753
MAT-POS-e6dd326d-1
0.753
MAT-POS-2bb0cf2b-1
0.753
MAT-POS-f9802937-5
0.750
MAT-POS-f9802937-6
0.750
MAT-POS-5d65ec79-2
0.750
EDJ-MED-f893e2a1-8
0.750
RAL-THA-e002e396-10
0.747
MAT-POS-45b13633-3
0.747
MAT-POS-e6dd326d-3
0.747
MAT-POS-5d65ec79-1
0.742
MAT-POS-f9802937-3
0.742
MAT-POS-f9802937-4
0.742
MAT-POS-45b13633-5
0.742
RAL-THA-e002e396-11
0.739
MAT-POS-e6dd326d-5
0.737
JAG-UCB-706446eb-3
0.736
EDG-MED-971238d3-3
0.736
EDG-MED-971238d3-9
0.736
EDG-MED-971238d3-6
0.736
RAL-THA-58fba2bc-3
0.736
RAL-THA-e002e396-12
0.734
MAT-POS-e6dd326d-9
0.731
DAR-DIA-6a508060-13
0.729
DAR-DIA-ecdbc7dd-13
0.728
EDJ-MED-28ec730d-2
0.723
EDJ-MED-424a8a89-2
0.723
EDJ-MED-15e90dfc-7
0.722
MAT-POS-e6dd326d-12
0.716
EDG-MED-971238d3-8
0.713
DAR-DIA-ecdbc7dd-4
0.713
EDG-MED-971238d3-7
0.713
JAG-UCB-706446eb-2
0.711
JAG-UCB-706446eb-4
0.711
EDJ-MED-424a8a89-1
0.711
EDJ-MED-15e90dfc-3
0.711
MAT-POS-e6dd326d-6
0.708
MAT-POS-e6dd326d-7
0.704
EDJ-MED-28ec730d-1
0.701
MAT-POS-e6dd326d-11
0.698
DAR-DIA-ecdbc7dd-3
0.698
MAT-POS-e6dd326d-8
0.698
ALP-POS-477dc5b7-3
0.698
MAT-POS-e6dd326d-10
0.694
MAT-POS-e6dd326d-13
0.694
EDJ-MED-8c98ee63-1
0.690
EDJ-MED-4c7486ba-1
0.687
DAR-DIA-ecdbc7dd-18
0.687
ALP-POS-9c80c481-1
0.687
EDJ-MED-4c7486ba-4
0.687
EDG-MED-70ae9412-2
0.687
DAR-DIA-ecdbc7dd-2
0.687
DAR-DIA-ecdbc7dd-11
0.684
DAR-DIA-ecdbc7dd-5
0.684
RAL-THA-e002e396-13
0.684
EDG-MED-ba1ac7b9-2
0.680
EDG-MED-ba1ac7b9-6
0.680
ALP-UNI-0676e700-29
0.679
DAR-DIA-ecdbc7dd-16
0.677
EDJ-MED-40433386-10
0.677
MAT-POS-fc9ede84-1
0.673
EDG-MED-ba1ac7b9-7
0.673
EDJ-MED-00143744-2
0.673
EDJ-MED-f893e2a1-3
0.670
EDJ-MED-fcba3f31-2
0.667
EDJ-MED-d203f206-13
0.663
EDJ-MED-15e90dfc-5
0.663
EDJ-MED-40433386-4
0.663
EDJ-MED-f893e2a1-9
0.663
ALP-UNI-3496895b-16
0.660
ALP-UNI-8e43a71e-16
0.660
EDJ-MED-d203f206-1
0.660
CHO-MSK-a31cca77-1
0.660
EDJ-MED-40433386-5
0.660
EDJ-MED-d203f206-20
0.660
CHO-MSK-a31cca77-4
0.660
EDJ-MED-f893e2a1-10
0.660
EDJ-MED-d203f206-2
0.660
EDG-MED-ba1ac7b9-3
0.660
EDG-MED-971238d3-1
0.659
MAT-POS-9db1e783-1
0.659
ALP-UNI-3496895b-9
0.657
KAD-UNI-8a629cb0-17
0.657