MMsINC Database Search


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MMsINC code: MMs00612298

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

O1c2c(ccc(OC(=O)C)c2C)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C18H14O4/c1-11-16(21-12(2)19)9-8-14-15(10-17(20)22-18(11)14)13-6-4-3-5-7-13/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2437 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -5.06248	SlogP: 3.08831	Reactive groups: 0

Topological Properties
Globularity: 0.0524366	Sterimol/B1: 2.94957	Sterimol/B2: 3.46378	Sterimol/B3: 4.22786
Sterimol/B4: 5.92513	Sterimol/L: 15.1949

Surface and Volume Properties
Accessible surface: 520.741	Positive charged surface: 283.632	Negative charged surface: 237.109	Volume: 278.25
Hydrophobic surface: 422.944	Hydrophilic surface: 97.797

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.