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MMsINC code: MMs02315183

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O(C(=O)C)c1c(cccc1C(O)=O)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6848 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -4.13418	SlogP: 2.9771	Reactive groups: 0

Topological Properties
Globularity: 0.0672832	Sterimol/B1: 2.09352	Sterimol/B2: 2.78417	Sterimol/B3: 3.26899
Sterimol/B4: 8.62172	Sterimol/L: 13.2779

Surface and Volume Properties
Accessible surface: 450.538	Positive charged surface: 242.693	Negative charged surface: 204.085	Volume: 238
Hydrophobic surface: 341.905	Hydrophilic surface: 108.633

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

MMs02315184
NCID-ZINC01681216