MMsINC Database Search


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MMsINC code: MMs03269702

Type: Neutral
Formula: C₁₉H₂₄O₆

SMILES:

Oc1c(cc(cc1CO)C(C)(C)c1cc(CO)c(O)c(c1)CO)CO

InChI:

InChI=1/C19H24O6/c1-19(2,15-3-11(7-20)17(24)12(4-15)8-21)16-5-13(9-22)18(25)14(6-16)10-23/h3-6,20-25H,7-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.732 kcal/mol

Physical Properties
Molecular Weight: 348.395 g/mol	logS: -2.89188	SlogP: 2.4585	Reactive groups: 0

Topological Properties
Globularity: 0.291628	Sterimol/B1: 2.42416	Sterimol/B2: 3.73188	Sterimol/B3: 6.80155
Sterimol/B4: 7.00341	Sterimol/L: 13.921

Surface and Volume Properties
Accessible surface: 603.683	Positive charged surface: 452.645	Negative charged surface: 151.038	Volume: 328.75
Hydrophobic surface: 277.196	Hydrophilic surface: 326.487

Pharmacophoric Properties
Hydrogen bond donors: 6	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.