MMsINC Database Search


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MMsINC code: MMs02751795

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

O1c2c(cccc2)C(=O)C(C(OCC)=O)=C1c1ccccc1

InChI:

InChI=1/C18H14O4/c1-2-21-18(20)15-16(19)13-10-6-7-11-14(13)22-17(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5115 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -5.29346	SlogP: 3.2361	Reactive groups: 1

Topological Properties
Globularity: 0.0949413	Sterimol/B1: 2.07954	Sterimol/B2: 2.19406	Sterimol/B3: 4.85625
Sterimol/B4: 7.87972	Sterimol/L: 13.8607

Surface and Volume Properties
Accessible surface: 527.94	Positive charged surface: 303.945	Negative charged surface: 223.995	Volume: 279.5
Hydrophobic surface: 439.575	Hydrophilic surface: 88.365

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.