MMsINC Database Search


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MMsINC code: MMs02879639

Type: Neutral
Formula: C₁₅H₁₆O₂S

SMILES:

S(=O)(=O)(c1cc(C)c(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H16O2S/c1-11-4-7-14(8-5-11)18(16,17)15-9-6-12(2)13(3)10-15/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9312 kcal/mol

Physical Properties
Molecular Weight: 260.357 g/mol	logS: -4.77119	SlogP: 3.44466	Reactive groups: 0

Topological Properties
Globularity: 0.137435	Sterimol/B1: 2.29819	Sterimol/B2: 3.70333	Sterimol/B3: 4.73083
Sterimol/B4: 6.24416	Sterimol/L: 14.4338

Surface and Volume Properties
Accessible surface: 488.413	Positive charged surface: 249.615	Negative charged surface: 238.798	Volume: 252.5
Hydrophobic surface: 431.739	Hydrophilic surface: 56.674

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.