MMsINC Database Search


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MMsINC code: MMs00505523

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O(C(=O)c1ccccc1)c1cc(ccc1OC)C=O

InChI:

InChI=1/C15H12O4/c1-18-13-8-7-11(10-16)9-14(13)19-15(17)12-5-3-2-4-6-12/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.951 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -3.55543	SlogP: 2.7269	Reactive groups: 1

Topological Properties
Globularity: 0.0817423	Sterimol/B1: 2.30489	Sterimol/B2: 3.60786	Sterimol/B3: 3.93612
Sterimol/B4: 8.35351	Sterimol/L: 14.7994

Surface and Volume Properties
Accessible surface: 493.095	Positive charged surface: 300.108	Negative charged surface: 192.987	Volume: 241
Hydrophobic surface: 397.959	Hydrophilic surface: 95.136

Pharmacophoric Properties
Hydrogen bond donors: 0	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.