MMsINC Database Search


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MMsINC code: MMs02215352

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O(C(c1ccccc1)c1ccccc1)C(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.1465 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -3.54187	SlogP: 3.4346	Reactive groups: 0

Topological Properties
Globularity: 0.297151	Sterimol/B1: 2.21024	Sterimol/B2: 3.65437	Sterimol/B3: 3.96679
Sterimol/B4: 8.83746	Sterimol/L: 11.0329

Surface and Volume Properties
Accessible surface: 463.574	Positive charged surface: 254.659	Negative charged surface: 208.915	Volume: 234.75
Hydrophobic surface: 429.787	Hydrophilic surface: 33.787

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.