MMsINC Database Search


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MMsINC code: MMs02192864

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

O(C(=O)c1ccc(cc1)C)c1ccccc1C(=O)C

InChI:

InChI=1/C16H14O3/c1-11-7-9-13(10-8-11)16(18)19-15-6-4-3-5-14(15)12(2)17/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4884 kcal/mol

Physical Properties
Molecular Weight: 254.285 g/mol	logS: -4.28513	SlogP: 3.41682	Reactive groups: 0

Topological Properties
Globularity: 0.0687859	Sterimol/B1: 3.3931	Sterimol/B2: 4.10934	Sterimol/B3: 5.01833
Sterimol/B4: 5.05205	Sterimol/L: 14.9835

Surface and Volume Properties
Accessible surface: 497.06	Positive charged surface: 277.081	Negative charged surface: 219.979	Volume: 251.25
Hydrophobic surface: 446.463	Hydrophilic surface: 50.597

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.