MMsINC Database Search


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MMsINC code: MMs02497010

Type: Neutral
Formula: C₁₉H₂₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)\C=C/c1cc(OC)ccc1OC

InChI:

InChI=1/C19H22O5/c1-20-15-8-9-16(21-2)14(12-15)7-6-13-10-17(22-3)19(24-5)18(11-13)23-4/h6-12H,1-5H3/b7-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.195 kcal/mol

Physical Properties
Molecular Weight: 330.38 g/mol	logS: -4.19751	SlogP: 3.9	Reactive groups: 0

Topological Properties
Globularity: 0.197158	Sterimol/B1: 2.07495	Sterimol/B2: 2.17434	Sterimol/B3: 6.59199
Sterimol/B4: 8.70437	Sterimol/L: 14.5771

Surface and Volume Properties
Accessible surface: 559.877	Positive charged surface: 467.394	Negative charged surface: 92.4824	Volume: 323.125
Hydrophobic surface: 528.366	Hydrophilic surface: 31.511

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.