MMsINC Database Search


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MMsINC code: MMs00110102

Type: Neutral
Formula: C₁₄H₁₅NO₂S

SMILES:

S(=O)(=O)(NCc1ccccc1C)c1ccccc1

InChI:

InChI=1/C14H15NO2S/c1-12-7-5-6-8-13(12)11-15-18(16,17)14-9-3-2-4-10-14/h2-10,15H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.7929 kcal/mol

Physical Properties
Molecular Weight: 261.345 g/mol	logS: -3.46468	SlogP: 2.73992	Reactive groups: 0

Topological Properties
Globularity: 0.114099	Sterimol/B1: 2.41319	Sterimol/B2: 3.91576	Sterimol/B3: 4.62125
Sterimol/B4: 6.6439	Sterimol/L: 14.0803

Surface and Volume Properties
Accessible surface: 475.549	Positive charged surface: 243.965	Negative charged surface: 231.584	Volume: 248.5
Hydrophobic surface: 392.748	Hydrophilic surface: 82.801

Pharmacophoric Properties
Hydrogen bond donors: 1	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.