MMsINC Database Search


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MMsINC code: MMs02312909

Type: Neutral
Formula: C₁₄H₂₀O₂

SMILES:

O1CC(COC1(C)c1ccc(cc1)C)(C)C

InChI:

InChI=1/C14H20O2/c1-11-5-7-12(8-6-11)14(4)15-9-13(2,3)10-16-14/h5-8H,9-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8185 kcal/mol

Physical Properties
Molecular Weight: 220.312 g/mol	logS: -3.25496	SlogP: 3.55222	Reactive groups: 0

Topological Properties
Globularity: 0.129523	Sterimol/B1: 3.34591	Sterimol/B2: 3.62099	Sterimol/B3: 3.62511
Sterimol/B4: 4.59507	Sterimol/L: 13.843

Surface and Volume Properties
Accessible surface: 453.702	Positive charged surface: 307.622	Negative charged surface: 146.081	Volume: 235
Hydrophobic surface: 396.599	Hydrophilic surface: 57.103

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.