MMsINC Database Search


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MMsINC code: MMs01452102

Type: Neutral
Formula: C₂₀H₂₃NO₇

SMILES:

O(C)c1c(OC)cc(cc1OC)CC(OCC(=O)Nc1cc(OC)ccc1)=O

InChI:

InChI=1/C20H23NO7/c1-24-15-7-5-6-14(11-15)21-18(22)12-28-19(23)10-13-8-16(25-2)20(27-4)17(9-13)26-3/h5-9,11H,10,12H2,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.063 kcal/mol

Physical Properties
Molecular Weight: 389.404 g/mol	logS: -4.02603	SlogP: 2.44537	Reactive groups: 1

Topological Properties
Globularity: 0.024883	Sterimol/B1: 2.80455	Sterimol/B2: 3.88188	Sterimol/B3: 5.23246
Sterimol/B4: 6.57129	Sterimol/L: 22.6184

Surface and Volume Properties
Accessible surface: 704.987	Positive charged surface: 557.8	Negative charged surface: 147.187	Volume: 362.875
Hydrophobic surface: 594.056	Hydrophilic surface: 110.931

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.