MMsINC Database Search


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MMsINC code: MMs02357830

Type: Neutral
Formula: C₁₆H₁₂O₄

SMILES:

o1c2c(ccc(O)c2)c(C(=O)C)c1-c1ccc(O)cc1

InChI:

InChI=1/C16H12O4/c1-9(17)15-13-7-6-12(19)8-14(13)20-16(15)10-2-4-11(18)5-3-10/h2-8,18-19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0203 kcal/mol

Physical Properties
Molecular Weight: 268.268 g/mol	logS: -4.81376	SlogP: 3.7136	Reactive groups: 0

Topological Properties
Globularity: 0.0248414	Sterimol/B1: 2.2501	Sterimol/B2: 2.39412	Sterimol/B3: 4.01703
Sterimol/B4: 7.31373	Sterimol/L: 14.8628

Surface and Volume Properties
Accessible surface: 477.82	Positive charged surface: 263.535	Negative charged surface: 209.246	Volume: 247.875
Hydrophobic surface: 335.729	Hydrophilic surface: 142.091

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: no related molecules available.