MMsINC Database Search


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MMsINC code: MMs02331396

Type: Neutral
Formula: C₁₄H₁₂Cl₂O₂S

SMILES:

ClC(Cl)(S(=O)(=O)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C14H12Cl2O2S/c15-14(16,13-9-5-2-6-10-13)19(17,18)11-12-7-3-1-4-8-12/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9914 kcal/mol

Physical Properties
Molecular Weight: 315.22 g/mol	logS: -4.87999	SlogP: 4.4674	Reactive groups: 0

Topological Properties
Globularity: 0.0818656	Sterimol/B1: 3.23416	Sterimol/B2: 3.58735	Sterimol/B3: 5.04543
Sterimol/B4: 5.3975	Sterimol/L: 14.909

Surface and Volume Properties
Accessible surface: 490.989	Positive charged surface: 198.536	Negative charged surface: 292.453	Volume: 266.625
Hydrophobic surface: 361.668	Hydrophilic surface: 129.321

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.