MMsINC Database Search


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MMsINC code: MMs01314577

Type: Neutral
Formula: C₂₀H₂₃NO₇

SMILES:

O(C)c1cc(ccc1OC)CNC(=O)COC(=O)COc1ccc(OC)cc1

InChI:

InChI=1/C20H23NO7/c1-24-15-5-7-16(8-6-15)27-13-20(23)28-12-19(22)21-11-14-4-9-17(25-2)18(10-14)26-3/h4-10H,11-13H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.762 kcal/mol

Physical Properties
Molecular Weight: 389.404 g/mol	logS: -3.93504	SlogP: 2.2172	Reactive groups: 1

Topological Properties
Globularity: 0.0324157	Sterimol/B1: 2.63491	Sterimol/B2: 4.49474	Sterimol/B3: 4.95567
Sterimol/B4: 5.59319	Sterimol/L: 24.5343

Surface and Volume Properties
Accessible surface: 727.222	Positive charged surface: 533.161	Negative charged surface: 194.061	Volume: 364.875
Hydrophobic surface: 590.445	Hydrophilic surface: 136.777

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.