MMsINC Database Search


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MMsINC code: MMs02997264

Type: Neutral
Formula: C₁₄H₂₂O₂

SMILES:

Oc1ccc(O)cc1CCCCCC(C)C

InChI:

InChI=1/C14H22O2/c1-11(2)6-4-3-5-7-12-10-13(15)8-9-14(12)16/h8-11,15-16H,3-7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.4418 kcal/mol

Physical Properties
Molecular Weight: 222.328 g/mol	logS: -4.42799	SlogP: 3.85667	Reactive groups: 0

Topological Properties
Globularity: 0.0663724	Sterimol/B1: 3.22043	Sterimol/B2: 3.35713	Sterimol/B3: 3.60418
Sterimol/B4: 4.70565	Sterimol/L: 15.9158

Surface and Volume Properties
Accessible surface: 495.038	Positive charged surface: 353.778	Negative charged surface: 141.26	Volume: 246
Hydrophobic surface: 363.063	Hydrophilic surface: 131.975

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.