MMsINC Database Search


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MMsINC code: MMs02660879

Type: Neutral
Formula: C₁₃H₁₂O₂S

SMILES:

S(=O)(=O)(c1ccccc1C)c1ccccc1

InChI:

InChI=1/C13H12O2S/c1-11-7-5-6-10-13(11)16(14,15)12-8-3-2-4-9-12/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0529 kcal/mol

Physical Properties
Molecular Weight: 232.303 g/mol	logS: -3.5099	SlogP: 2.82782	Reactive groups: 0

Topological Properties
Globularity: 0.169954	Sterimol/B1: 2.44057	Sterimol/B2: 3.34905	Sterimol/B3: 4.14109
Sterimol/B4: 5.93479	Sterimol/L: 11.9968

Surface and Volume Properties
Accessible surface: 412.122	Positive charged surface: 196.967	Negative charged surface: 215.155	Volume: 215.625
Hydrophobic surface: 358.781	Hydrophilic surface: 53.341

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.