Molecular Properties | |
SMILES: | CS(=O)(=O)NCCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | None |
Fraction sp3: | None |
HBA: | None |
HBD: | None |
Rotatable Bonds: | None |
TPSA: | None |
cLogP: | None |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
VLA-UCB-1dbca3b4-15
MAT-POS-e6dd326d-4
0.815
EDG-MED-971238d3-6
0.802
JAG-UCB-706446eb-3
0.783
EDG-MED-971238d3-9
0.783
EDG-MED-971238d3-3
0.783
RAL-THA-58fba2bc-3
0.783
EDJ-MED-28ec730d-2
0.768
EDG-MED-971238d3-7
0.758
EDG-MED-971238d3-8
0.758
RAL-THA-e002e396-1
0.747
EDJ-MED-28ec730d-1
0.745
ALP-POS-477dc5b7-3
0.742
JAG-UCB-706446eb-2
0.737
JAG-UCB-706446eb-4
0.737
MAT-POS-e6dd326d-2
0.734
MAT-POS-45b13633-2
0.734
RAL-THA-e002e396-2
0.729
MAT-POS-e6dd326d-5
0.727
RAL-THA-e002e396-5
0.724
EDJ-MED-424a8a89-2
0.714
EDJ-MED-15e90dfc-7
0.713
MAT-POS-9db1e783-2
0.713
EDG-MED-971238d3-2
0.713
RAL-THA-e002e396-11
0.711
KAD-UNI-8a629cb0-36
0.706
MAT-POS-45b13633-1
0.705
MAT-POS-e6dd326d-1
0.705
EDG-MED-971238d3-5
0.705
MAT-POS-2bb0cf2b-1
0.705
MAT-POS-e6dd326d-9
0.704
RAL-THA-e002e396-6
0.704
EDJ-MED-f893e2a1-8
0.704
MAT-POS-e6dd326d-3
0.701
MAT-POS-45b13633-3
0.701
RAL-THA-e002e396-7
0.700
JAG-UCB-706446eb-1
0.699
KAD-UNI-8a629cb0-4
0.697
KAD-UNI-8a629cb0-26
0.695
KAD-UNI-8a629cb0-39
0.695
RAL-THA-e002e396-8
0.693
VLA-UCB-05e51b3f-13
0.692
VLA-UCB-50c39ae8-10
0.692
DAR-DIA-6a508060-9
0.692
KAD-UNI-8a629cb0-27
0.692
KAD-UNI-8a629cb0-35
0.692
KAD-UNI-8a629cb0-3
0.691
KAD-UNI-8a629cb0-47
0.691
RAL-THA-58fba2bc-1
0.691
EDG-MED-971238d3-10
0.691
MAT-POS-45b13633-4
0.691
MAT-POS-e6dd326d-12
0.690
VLA-UCB-34f3ed0c-10
0.689
KAD-UNI-8a629cb0-44
0.688
MAT-POS-5d65ec79-2
0.687
MAT-POS-f9802937-6
0.687
MAT-POS-f9802937-5
0.687
DAR-DIA-ecdbc7dd-13
0.684
MAT-POS-e6dd326d-6
0.683
MAT-POS-45b13633-5
0.680
MAT-POS-5d65ec79-1
0.680
MAT-POS-f9802937-4
0.680
MAT-POS-f9802937-3
0.680
EDJ-MED-4c7486ba-4
0.680
MAT-POS-e6dd326d-7
0.680
EDJ-MED-4c7486ba-1
0.680
EDG-MED-70ae9412-2
0.680
RAL-THA-e002e396-12
0.673
MAT-POS-e6dd326d-8
0.673
MAT-POS-e6dd326d-11
0.673
KAD-UNI-8a629cb0-32
0.673
DAR-DIA-ecdbc7dd-4
0.670
MAT-POS-e6dd326d-10
0.670
MAT-POS-e6dd326d-13
0.670
EDJ-MED-15e90dfc-3
0.670
EDJ-MED-424a8a89-1
0.670
MAT-POS-fc9ede84-1
0.667
EDJ-MED-8c98ee63-1
0.667
KAD-UNI-8a629cb0-24
0.667
DAR-DIA-ecdbc7dd-18
0.663
RAL-THA-e002e396-3
0.663
KAD-UNI-8a629cb0-16
0.658
DAR-DIA-ecdbc7dd-3
0.657
KAD-UNI-8a629cb0-34
0.655
KAD-UNI-8a629cb0-14
0.655
EDJ-MED-40433386-10
0.654
DAR-DIA-ecdbc7dd-16
0.654
EDJ-MED-00143744-2
0.651
KAD-UNI-8a629cb0-1
0.650
ALP-POS-9c80c481-1
0.648
EDJ-MED-f893e2a1-3
0.648
DAR-DIA-ecdbc7dd-2
0.648
KAD-UNI-8a629cb0-18
0.647
KAD-UNI-8a629cb0-48
0.646
EDJ-MED-40433386-3
0.645
EDJ-MED-4c7486ba-12
0.645
EDJ-MED-4c7486ba-9
0.645
EDJ-MED-40433386-7
0.645
MAT-POS-3b97339c-1
0.645
DAR-DIA-ecdbc7dd-5
0.644
DAR-DIA-ecdbc7dd-11
0.644