MMsINC Database Search


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MMsINC code: MMs02236794

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.2227 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -4.00843	SlogP: 3.61842	Reactive groups: 0

Topological Properties
Globularity: 0.0585301	Sterimol/B1: 3.36771	Sterimol/B2: 3.61716	Sterimol/B3: 3.61838
Sterimol/B4: 5.28598	Sterimol/L: 15.7182

Surface and Volume Properties
Accessible surface: 482.337	Positive charged surface: 270.039	Negative charged surface: 212.298	Volume: 234.875
Hydrophobic surface: 440.802	Hydrophilic surface: 41.535

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.