MMsINC Database Search


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MMsINC code: MMs00375327

Type: Neutral
Formula: C₁₁H₁₇NO₂S

SMILES:

S(=O)(=O)(NCCCCC)c1ccccc1

InChI:

InChI=1/C11H17NO2S/c1-2-3-7-10-12-15(13,14)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.322533 kcal/mol

Physical Properties
Molecular Weight: 227.328 g/mol	logS: -2.78228	SlogP: 2.1551	Reactive groups: 0

Topological Properties
Globularity: 0.0819147	Sterimol/B1: 3.02577	Sterimol/B2: 3.38055	Sterimol/B3: 4.1583
Sterimol/B4: 5.98014	Sterimol/L: 14.1819

Surface and Volume Properties
Accessible surface: 463.312	Positive charged surface: 284.808	Negative charged surface: 178.504	Volume: 223.25
Hydrophobic surface: 356.955	Hydrophilic surface: 106.357

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.