MMsINC Database Search


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MMsINC code: MMs00006565

Type: Neutral
Formula: C₁₇H₂₀O₂

SMILES:

O(C)c1ccc(cc1)C(C)(C)c1ccc(OC)cc1

InChI:

InChI=1/C17H20O2/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3237 kcal/mol

Physical Properties
Molecular Weight: 256.345 g/mol	logS: -4.63246	SlogP: 4.0297	Reactive groups: 0

Topological Properties
Globularity: 0.169989	Sterimol/B1: 2.11493	Sterimol/B2: 2.45002	Sterimol/B3: 4.99516
Sterimol/B4: 7.29015	Sterimol/L: 14.4119

Surface and Volume Properties
Accessible surface: 501.867	Positive charged surface: 358.846	Negative charged surface: 143.021	Volume: 270.75
Hydrophobic surface: 451.064	Hydrophilic surface: 50.803

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.