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MMsINC code: MMs02706841

Type: Neutral
Formula: C₁₈H₁₄O₃

SMILES:

O(Cc1ccccc1)c1ccc2c(cccc2)c1C(O)=O

InChI:

InChI=1/C18H14O3/c19-18(20)17-15-9-5-4-8-14(15)10-11-16(17)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7882 kcal/mol

Physical Properties
Molecular Weight: 278.307 g/mol	logS: -5.05044	SlogP: 4.3834	Reactive groups: 0

Topological Properties
Globularity: 0.0568764	Sterimol/B1: 3.60554	Sterimol/B2: 3.68214	Sterimol/B3: 4.68284
Sterimol/B4: 4.91316	Sterimol/L: 16.2984

Surface and Volume Properties
Accessible surface: 524.175	Positive charged surface: 269.802	Negative charged surface: 243.576	Volume: 269.125
Hydrophobic surface: 434.647	Hydrophilic surface: 89.528

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02706842
PUBCHEM-ZINC00571372