Molecular Properties | |
SMILES: | CS(=O)(=O)N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 429.06 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 96.44 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-acfe5bae-3
0.805
EDJ-MED-0047eae5-2
0.795
PET-UNK-8f269638-1
0.734
PET-UNK-8f269638-2
0.734
EDJ-MED-eb111c00-1
0.733
MIC-UNK-91acba05-2
0.733
EDJ-MED-eb111c00-4
0.725
EDJ-MED-968bafd9-1
0.722
ALP-POS-c56c1477-3
0.711
ALP-POS-d054b76b-1
0.705
ALP-POS-b3e0acc5-1
0.695
MAT-POS-acfe5bae-4
0.690
TET-ENA-df1c4375-1
0.690
PET-UNK-f860268d-2
0.681
PET-UNK-f860268d-5
0.681
MIC-UNK-482af05e-4
0.677
PET-UNK-4d432d33-6
0.674
PET-UNK-4d432d33-2
0.674
EDJ-MED-eb111c00-3
0.674
EDJ-MED-12c4873b-4
0.670
MAT-POS-a54ce14d-3
0.670
EDJ-MED-015fb6b4-2
0.670
EDJ-MED-43f8f7d6-1
0.670
LUO-POS-3f66b338-1
0.670
MAT-POS-a54ce14d-2
0.670
MAT-POS-acfe5bae-2
0.670
PET-UNK-4d432d33-1
0.667
PET-UNK-4d432d33-5
0.667
RAL-THA-5e0a6f1a-1
0.656
EDJ-MED-12c4873b-6
0.656
EDJ-MED-43f8f7d6-7
0.656
RAL-THA-8f106089-3
0.656
RAL-THA-8f106089-4
0.656
MAT-POS-e2d70d27-1
0.656
PET-UNK-c7ac4d9e-1
0.656
PET-UNK-c7ac4d9e-2
0.656
JOH-UNI-6b98e24c-1
0.653
RAL-THA-a9c31980-3
0.653
EDJ-MED-43f8f7d6-3
0.653
MIC-UNK-482af05e-3
0.653
EDJ-MED-eb111c00-2
0.649
LUO-POS-868e8996-3
0.643
LUO-POS-868e8996-4
0.643
JOH-UNI-6b98e24c-2
0.643
EDJ-MED-12c4873b-2
0.643
RAL-THA-a9c31980-1
0.643
EDJ-MED-43f8f7d6-2
0.643
LUO-POS-8701f4c8-1
0.643
EDJ-MED-c99b2211-2
0.643
RAL-THA-a9c31980-4
0.643
DAR-DIA-0f2f46c9-5
0.641
DAR-DIA-0f2f46c9-6
0.641
DAR-DIA-0f2f46c9-4
0.641
RAL-THA-8f106089-1
0.639
EDJ-MED-43f8f7d6-8
0.639
RAL-THA-8f106089-2
0.639
EDJ-MED-12c4873b-8
0.639
RAL-THA-a9c31980-5
0.630
EDJ-MED-c99b2211-1
0.624
EDJ-MED-cc48ee33-1
0.624
RAL-THA-a9c31980-2
0.624
MAT-POS-2e8b2191-1
0.621
EDJ-MED-43f8f7d6-4
0.620
PET-UNK-37251634-4
0.618
PET-UNK-37251634-15
0.618
PET-UNK-37251634-12
0.618
PET-UNK-37251634-7
0.618
MAT-POS-24589f88-2
0.617
MAT-POS-dd3ad2b5-4
0.617
MAT-POS-24589f88-3
0.617
RAL-THA-a9c31980-6
0.614
EDJ-MED-cc48ee33-6
0.612
RAL-THA-a9c31980-9
0.612
PET-UNK-d62a9a75-1
0.612
PET-UNK-d62a9a75-3
0.612
PET-UNK-37251634-8
0.608
PET-UNK-37251634-1
0.608
PET-UNK-37251634-9
0.608
PET-UNK-37251634-16
0.608
PET-UNK-37251634-10
0.602
EDJ-MED-43f8f7d6-6
0.602
PET-UNK-37251634-2
0.602
PET-UNK-37251634-3
0.602
PET-UNK-37251634-6
0.602
PET-UNK-37251634-11
0.602
PET-UNK-37251634-14
0.602
RAL-THA-a9c31980-8
0.602
EDJ-MED-827e7cb4-2
0.600
PET-UNK-d62a9a75-4
0.596
PET-UNK-37251634-5
0.596
PET-UNK-37251634-13
0.596
PET-UNK-d62a9a75-2
0.596
ALP-POS-a577c8a2-2
0.589
MAR-UCB-6ab2ec87-6
0.581
DAR-DIA-0f2f46c9-10
0.579
RAL-THA-ee48ba5f-5
0.576
MAT-POS-865c3497-2
0.574
MAR-UCB-6ab2ec87-7
0.574
MIC-UNK-91acba05-1
0.574
MAT-POS-865c3497-1
0.574