MMsINC Database Search


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MMsINC code: MMs02671971

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

O(C(C)c1ccccc1)c1ccc(OC)cc1

InChI:

InChI=1/C15H16O2/c1-12(13-6-4-3-5-7-13)17-15-10-8-14(16-2)9-11-15/h3-12H,1-2H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9366 kcal/mol

Physical Properties
Molecular Weight: 228.291 g/mol	logS: -3.58075	SlogP: 3.9307	Reactive groups: 0

Topological Properties
Globularity: 0.067194	Sterimol/B1: 2.287	Sterimol/B2: 2.46117	Sterimol/B3: 5.08196
Sterimol/B4: 5.33001	Sterimol/L: 15.9743

Surface and Volume Properties
Accessible surface: 473.524	Positive charged surface: 301.737	Negative charged surface: 171.786	Volume: 239.25
Hydrophobic surface: 440.908	Hydrophilic surface: 32.616

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.