MMsINC Database Search


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MMsINC code: MMs00097677

Type: Neutral
Formula: C₁₃H₁₁NO₃S

SMILES:

S(=O)(=O)(NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C13H11NO3S/c15-13(11-7-3-1-4-8-11)14-18(16,17)12-9-5-2-6-10-12/h1-10H,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.2997 kcal/mol

Physical Properties
Molecular Weight: 261.301 g/mol	logS: -3.57796	SlogP: 1.8053	Reactive groups: 0

Topological Properties
Globularity: 0.117905	Sterimol/B1: 3.05	Sterimol/B2: 3.7137	Sterimol/B3: 5.04469
Sterimol/B4: 5.26361	Sterimol/L: 13.4557

Surface and Volume Properties
Accessible surface: 458.632	Positive charged surface: 212.055	Negative charged surface: 246.577	Volume: 229.625
Hydrophobic surface: 365.191	Hydrophilic surface: 93.441

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.