MMsINC Database Search


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MMsINC code: MMs00053621

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(C)c1cc(O)c(cc1)C(=O)Cc1ccccc1

InChI:

InChI=1/C15H14O3/c1-18-12-7-8-13(15(17)10-12)14(16)9-11-5-3-2-4-6-11/h2-8,10,17H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9749 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.20759	SlogP: 2.82617	Reactive groups: 0

Topological Properties
Globularity: 0.0599967	Sterimol/B1: 2.31174	Sterimol/B2: 3.57856	Sterimol/B3: 3.67886
Sterimol/B4: 5.48009	Sterimol/L: 16.2912

Surface and Volume Properties
Accessible surface: 482.712	Positive charged surface: 307.347	Negative charged surface: 175.365	Volume: 239.625
Hydrophobic surface: 406.308	Hydrophilic surface: 76.404

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.