MMsINC Database Search


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MMsINC code: MMs02792004

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O(C(=O)c1ccccc1-c1ccccc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1569 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -4.66691	SlogP: 3.44862	Reactive groups: 0

Topological Properties
Globularity: 0.237112	Sterimol/B1: 2.37137	Sterimol/B2: 5.0569	Sterimol/B3: 5.53955
Sterimol/B4: 5.98216	Sterimol/L: 11.7667

Surface and Volume Properties
Accessible surface: 442.634	Positive charged surface: 281.435	Negative charged surface: 159.285	Volume: 232.875
Hydrophobic surface: 426.44	Hydrophilic surface: 16.194

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.