MMsINC Database Search


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MMsINC code: MMs02092156

Type: Neutral
Formula: C₁₅H₁₄O₅

SMILES:

o1cccc1\C=C\C(=O)c1c(OC)cc(OC)cc1O

InChI:

InChI=1/C15H14O5/c1-18-11-8-13(17)15(14(9-11)19-2)12(16)6-5-10-4-3-7-20-10/h3-9,17H,1-2H3/b6-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7517 kcal/mol

Physical Properties
Molecular Weight: 274.272 g/mol	logS: -3.45389	SlogP: 2.8985	Reactive groups: 1

Topological Properties
Globularity: 0.0909095	Sterimol/B1: 3.0856	Sterimol/B2: 3.44311	Sterimol/B3: 5.1405
Sterimol/B4: 6.97571	Sterimol/L: 16.5035

Surface and Volume Properties
Accessible surface: 527.856	Positive charged surface: 341.176	Negative charged surface: 186.68	Volume: 256.875
Hydrophobic surface: 433.558	Hydrophilic surface: 94.298

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.