MMsINC Database Search


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MMsINC code: MMs03252349

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

Oc1ccc(cc1C(C)c1ccccc1O)C

InChI:

InChI=1/C15H16O2/c1-10-7-8-15(17)13(9-10)11(2)12-5-3-4-6-14(12)16/h3-9,11,16-17H,1-2H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8332 kcal/mol

Physical Properties
Molecular Weight: 228.291 g/mol	logS: -3.45305	SlogP: 3.55802	Reactive groups: 0

Topological Properties
Globularity: 0.225702	Sterimol/B1: 2.69511	Sterimol/B2: 3.20844	Sterimol/B3: 4.33511
Sterimol/B4: 6.90119	Sterimol/L: 11.7676

Surface and Volume Properties
Accessible surface: 451.798	Positive charged surface: 280.949	Negative charged surface: 170.849	Volume: 234.25
Hydrophobic surface: 353.522	Hydrophilic surface: 98.276

Pharmacophoric Properties
Hydrogen bond donors: 2	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.