MMsINC Database Search


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MMsINC code: MMs02192166

Type: Neutral
Formula: C₁₄H₁₃NO₃S

SMILES:

S(=O)(=O)(CNC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H13NO3S/c16-14(12-7-3-1-4-8-12)15-11-19(17,18)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6582 kcal/mol

Physical Properties
Molecular Weight: 275.328 g/mol	logS: -3.17154	SlogP: 1.8478	Reactive groups: 0

Topological Properties
Globularity: 0.0668365	Sterimol/B1: 3.05021	Sterimol/B2: 3.15807	Sterimol/B3: 3.7811
Sterimol/B4: 6.0817	Sterimol/L: 14.0491

Surface and Volume Properties
Accessible surface: 483.681	Positive charged surface: 239.026	Negative charged surface: 244.655	Volume: 250.75
Hydrophobic surface: 378.845	Hydrophilic surface: 104.836

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.