MMsINC Database Search


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MMsINC code: MMs02327755

Type: Neutral
Formula: C₁₄H₂₀O₂

SMILES:

O(Cc1ccc(OC)cc1)C1CCCCC1

InChI:

InChI=1/C14H20O2/c1-15-13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.3362 kcal/mol

Physical Properties
Molecular Weight: 220.312 g/mol	logS: -3.0226	SlogP: 3.8109	Reactive groups: 0

Topological Properties
Globularity: 0.0464416	Sterimol/B1: 2.67594	Sterimol/B2: 3.11223	Sterimol/B3: 3.78203
Sterimol/B4: 4.62003	Sterimol/L: 16.2246

Surface and Volume Properties
Accessible surface: 480.707	Positive charged surface: 359.436	Negative charged surface: 121.271	Volume: 238.25
Hydrophobic surface: 459.805	Hydrophilic surface: 20.902

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.