MMsINC Database Search


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MMsINC code: MMs02900938

Type: Neutral
Formula: C₁₄H₂₀O

SMILES:

O(CCc1ccccc1)C1CCCCC1

InChI:

InChI=1/C14H20O/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.6439 kcal/mol

Physical Properties
Molecular Weight: 204.313 g/mol	logS: -3.03369	SlogP: 3.57837	Reactive groups: 0

Topological Properties
Globularity: 0.062323	Sterimol/B1: 2.44634	Sterimol/B2: 3.57402	Sterimol/B3: 4.09477
Sterimol/B4: 4.29781	Sterimol/L: 14.8626

Surface and Volume Properties
Accessible surface: 469.99	Positive charged surface: 329.096	Negative charged surface: 140.894	Volume: 229.125
Hydrophobic surface: 465.438	Hydrophilic surface: 4.552

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.