MMsINC Database Search


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MMsINC code: MMs01421461

Type: Neutral
Formula: C₂₀H₂₃NO₈

SMILES:

O(C)c1c(OC)c(OC)ccc1C(OCC(=O)Nc1cc(OC)cc(OC)c1)=O

InChI:

InChI=1/C20H23NO8/c1-24-13-8-12(9-14(10-13)25-2)21-17(22)11-29-20(23)15-6-7-16(26-3)19(28-5)18(15)27-4/h6-10H,11H2,1-5H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.085 kcal/mol

Physical Properties
Molecular Weight: 405.403 g/mol	logS: -4.01494	SlogP: 2.5251	Reactive groups: 0

Topological Properties
Globularity: 0.0282405	Sterimol/B1: 2.0456	Sterimol/B2: 3.12843	Sterimol/B3: 3.74638
Sterimol/B4: 8.94358	Sterimol/L: 20.7084

Surface and Volume Properties
Accessible surface: 710.143	Positive charged surface: 575.008	Negative charged surface: 135.136	Volume: 372
Hydrophobic surface: 599.728	Hydrophilic surface: 110.415

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 7	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.