MMsINC Database Search


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MMsINC code: MMs02523726

Type: Neutral
Formula: C₁₀H₁₅NO₂S

SMILES:

S(=O)(=O)(NCCCc1ccccc1)C

InChI:

InChI=1/C10H15NO2S/c1-14(12,13)11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.08184 kcal/mol

Physical Properties
Molecular Weight: 213.301 g/mol	logS: -1.43014	SlogP: 1.16837	Reactive groups: 0

Topological Properties
Globularity: 0.0611367	Sterimol/B1: 2.88888	Sterimol/B2: 2.95556	Sterimol/B3: 3.97165
Sterimol/B4: 4.36474	Sterimol/L: 14.6658

Surface and Volume Properties
Accessible surface: 435.794	Positive charged surface: 253.455	Negative charged surface: 182.34	Volume: 203.25
Hydrophobic surface: 340.957	Hydrophilic surface: 94.837

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.