MMsINC Database Search


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MMsINC code: MMs02326336

Type: Neutral
Formula: C₁₅H₂₅NO₂S

SMILES:

S(=O)(=O)(N(CC)CC)c1ccc(cc1)CCCCC

InChI:

InChI=1/C15H25NO2S/c1-4-7-8-9-14-10-12-15(13-11-14)19(17,18)16(5-2)6-3/h10-13H,4-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.809 kcal/mol

Physical Properties
Molecular Weight: 283.436 g/mol	logS: -4.48766	SlogP: 3.44977	Reactive groups: 0

Topological Properties
Globularity: 0.0480346	Sterimol/B1: 3.26848	Sterimol/B2: 3.65074	Sterimol/B3: 4.30897
Sterimol/B4: 4.79801	Sterimol/L: 17.779

Surface and Volume Properties
Accessible surface: 552.689	Positive charged surface: 370.834	Negative charged surface: 181.855	Volume: 292.875
Hydrophobic surface: 434.737	Hydrophilic surface: 117.952

Pharmacophoric Properties
Hydrogen bond donors: 0	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.