MMsINC Database Search


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MMsINC code: MMs02187860

Type: Neutral
Formula: C₁₉H₁₈O₇

SMILES:

O1c2c(C(=O)C(O)=C1c1cc(OC)c(OC)cc1)c(OC)cc(OC)c2

InChI:

InChI=1/C19H18O7/c1-22-11-8-14(25-4)16-15(9-11)26-19(18(21)17(16)20)10-5-6-12(23-2)13(7-10)24-3/h5-9,21H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.031 kcal/mol

Physical Properties
Molecular Weight: 358.346 g/mol	logS: -4.42409	SlogP: 3.2229	Reactive groups: 1

Topological Properties
Globularity: 0.0482161	Sterimol/B1: 2.51162	Sterimol/B2: 3.86644	Sterimol/B3: 4.74365
Sterimol/B4: 6.26479	Sterimol/L: 17.3661

Surface and Volume Properties
Accessible surface: 610.131	Positive charged surface: 482.709	Negative charged surface: 127.423	Volume: 324
Hydrophobic surface: 506.223	Hydrophilic surface: 103.908

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.