MMsINC Database Search


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MMsINC code: MMs02669219

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O1c2c(ccc3c2cccc3)C(=O)CC1(C)C

InChI:

InChI=1/C15H14O2/c1-15(2)9-13(16)12-8-7-10-5-3-4-6-11(10)14(12)17-15/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5366 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -4.30323	SlogP: 3.5836	Reactive groups: 0

Topological Properties
Globularity: 0.0844793	Sterimol/B1: 2.84618	Sterimol/B2: 2.94802	Sterimol/B3: 3.92063
Sterimol/B4: 6.56026	Sterimol/L: 12.2909

Surface and Volume Properties
Accessible surface: 421.614	Positive charged surface: 239.046	Negative charged surface: 173.823	Volume: 225.75
Hydrophobic surface: 346.811	Hydrophilic surface: 74.803

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.