MMsINC Database Search


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MMsINC code: MMs03482001

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O(Cc1ccc(cc1)C(=O)c1ccccc1)C

InChI:

InChI=1/C15H14O2/c1-17-11-12-7-9-14(10-8-12)15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.5272 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -3.57389	SlogP: 3.3304	Reactive groups: 0

Topological Properties
Globularity: 0.0294372	Sterimol/B1: 2.41183	Sterimol/B2: 3.4327	Sterimol/B3: 3.63519
Sterimol/B4: 4.87317	Sterimol/L: 15.4929

Surface and Volume Properties
Accessible surface: 465.001	Positive charged surface: 291.344	Negative charged surface: 173.657	Volume: 231.25
Hydrophobic surface: 414.974	Hydrophilic surface: 50.027

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.