MMsINC Database Search


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MMsINC code: MMs01975734

Type: Neutral
Formula: C₁₉H₁₈O₅

SMILES:

O1c2c(cc(cc2)C)C(=O)C=C1c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C19H18O5/c1-11-5-6-15-13(7-11)14(20)10-16(24-15)12-8-17(21-2)19(23-4)18(9-12)22-3/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.356 kcal/mol

Physical Properties
Molecular Weight: 326.348 g/mol	logS: -5.17355	SlogP: 3.63702	Reactive groups: 1

Topological Properties
Globularity: 0.0167817	Sterimol/B1: 2.68131	Sterimol/B2: 2.89299	Sterimol/B3: 5.5603
Sterimol/B4: 6.17059	Sterimol/L: 17.1635

Surface and Volume Properties
Accessible surface: 581.495	Positive charged surface: 415.887	Negative charged surface: 165.607	Volume: 310.5
Hydrophobic surface: 517.803	Hydrophilic surface: 63.692

Pharmacophoric Properties
Hydrogen bond donors: 0	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.