MMsINC Database Search


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MMsINC code: MMs02886813

Type: Neutral
Formula: C₁₀H₁₅NO₃S

SMILES:

S(=O)(=O)(NCCc1ccc(OC)cc1)C

InChI:

InChI=1/C10H15NO3S/c1-14-10-5-3-9(4-6-10)7-8-11-15(2,12)13/h3-6,11H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.4164 kcal/mol

Physical Properties
Molecular Weight: 229.3 g/mol	logS: -1.27875	SlogP: 0.78687	Reactive groups: 0

Topological Properties
Globularity: 0.0765492	Sterimol/B1: 2.57966	Sterimol/B2: 3.1468	Sterimol/B3: 3.80724
Sterimol/B4: 4.99099	Sterimol/L: 15.0102

Surface and Volume Properties
Accessible surface: 453.768	Positive charged surface: 283.334	Negative charged surface: 170.434	Volume: 212.875
Hydrophobic surface: 350.545	Hydrophilic surface: 103.223

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.