MMsINC Database Search


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MMsINC code: MMs02367981

Type: Neutral
Formula: C₁₆H₁₆Cl₂O₂S

SMILES:

ClC(Cl)(S(=O)(=O)Cc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C16H16Cl2O2S/c1-12-3-7-14(8-4-12)11-21(19,20)16(17,18)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.504 kcal/mol

Physical Properties
Molecular Weight: 343.274 g/mol	logS: -5.82783	SlogP: 5.08424	Reactive groups: 0

Topological Properties
Globularity: 0.0581284	Sterimol/B1: 2.72026	Sterimol/B2: 3.29774	Sterimol/B3: 4.59526
Sterimol/B4: 6.2173	Sterimol/L: 17.0676

Surface and Volume Properties
Accessible surface: 555.655	Positive charged surface: 251.497	Negative charged surface: 304.158	Volume: 300.125
Hydrophobic surface: 423.734	Hydrophilic surface: 131.921

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.