MMsINC Database Search


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MMsINC code: MMs02250155

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C(=O)c1ccccc1)c1ccc(cc1)C(OCC)=O

InChI:

InChI=1/C16H14O4/c1-2-19-15(17)13-8-10-14(11-9-13)20-16(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8547 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -4.20788	SlogP: 3.0825	Reactive groups: 0

Topological Properties
Globularity: 0.0360126	Sterimol/B1: 2.64682	Sterimol/B2: 2.73274	Sterimol/B3: 3.6598
Sterimol/B4: 4.76219	Sterimol/L: 18.6919

Surface and Volume Properties
Accessible surface: 533.746	Positive charged surface: 310.966	Negative charged surface: 222.781	Volume: 261.125
Hydrophobic surface: 440.363	Hydrophilic surface: 93.383

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.