MMsINC Database Search


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MMsINC code: MMs02664237

Type: Neutral
Formula: C₁₄H₂₃NO₂S

SMILES:

S(=O)(=O)(NCC(C)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C14H23NO2S/c1-11(2)10-15-18(16,17)13-8-6-12(7-9-13)14(3,4)5/h6-9,11,15H,10H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1514 kcal/mol

Physical Properties
Molecular Weight: 269.409 g/mol	logS: -3.97319	SlogP: 2.9184	Reactive groups: 0

Topological Properties
Globularity: 0.0868745	Sterimol/B1: 2.04347	Sterimol/B2: 3.38297	Sterimol/B3: 4.2198
Sterimol/B4: 7.32091	Sterimol/L: 15.1907

Surface and Volume Properties
Accessible surface: 515.731	Positive charged surface: 319.623	Negative charged surface: 196.108	Volume: 274.375
Hydrophobic surface: 345.359	Hydrophilic surface: 170.372

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.