MMsINC Database Search


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MMsINC code: MMs02864363

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

O(C)c1ccccc1C(O)C1=CC(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C18H14O4/c1-22-16-9-5-4-8-13(16)18(21)14-10-15(19)11-6-2-3-7-12(11)17(14)20/h2-10,18,21H,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6678 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -4.27469	SlogP: 2.8297	Reactive groups: 1

Topological Properties
Globularity: 0.153719	Sterimol/B1: 2.52645	Sterimol/B2: 2.79972	Sterimol/B3: 5.3221
Sterimol/B4: 7.46713	Sterimol/L: 13.2549

Surface and Volume Properties
Accessible surface: 504.717	Positive charged surface: 293.223	Negative charged surface: 211.494	Volume: 276
Hydrophobic surface: 408.352	Hydrophilic surface: 96.365

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.