MMsINC Database Search


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MMsINC code: MMs03227984

Type: Neutral
Formula: C₁₄H₁₄O₂S

SMILES:

S(=O)(Cc1ccc(OC)cc1)c1ccccc1

InChI:

InChI=1/C14H14O2S/c1-16-13-9-7-12(8-10-13)11-17(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4868 kcal/mol

Physical Properties
Molecular Weight: 246.33 g/mol	logS: -3.49333	SlogP: 3.2694	Reactive groups: 0

Topological Properties
Globularity: 0.0219079	Sterimol/B1: 2.94299	Sterimol/B2: 3.07499	Sterimol/B3: 3.31283
Sterimol/B4: 4.69639	Sterimol/L: 16.5713

Surface and Volume Properties
Accessible surface: 480.765	Positive charged surface: 304.291	Negative charged surface: 176.474	Volume: 237.5
Hydrophobic surface: 431.288	Hydrophilic surface: 49.477

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.