MMsINC Database Search


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MMsINC code: MMs02293000

Type: Neutral
Formula: C₁₄H₂₀O₂

SMILES:

Oc1ccc(O)cc1C1CCCCCCC1

InChI:

InChI=1/C14H20O2/c15-12-8-9-14(16)13(10-12)11-6-4-2-1-3-5-7-11/h8-11,15-16H,1-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1292 kcal/mol

Physical Properties
Molecular Weight: 220.312 g/mol	logS: -4.32595	SlogP: 3.9257	Reactive groups: 0

Topological Properties
Globularity: 0.180643	Sterimol/B1: 3.64704	Sterimol/B2: 4.13389	Sterimol/B3: 4.28242
Sterimol/B4: 4.72942	Sterimol/L: 12.2835

Surface and Volume Properties
Accessible surface: 434.95	Positive charged surface: 302.967	Negative charged surface: 131.984	Volume: 229.625
Hydrophobic surface: 340.689	Hydrophilic surface: 94.261

Pharmacophoric Properties
Hydrogen bond donors: 2	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.