MMsINC Database Search


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MMsINC code: MMs01408360

Type: Neutral
Formula: C₂₀H₂₃NO₇

SMILES:

O(CC)c1ccc(cc1OC)C(OCC(=O)Nc1cc(OC)cc(OC)c1)=O

InChI:

InChI=1/C20H23NO7/c1-5-27-17-7-6-13(8-18(17)26-4)20(23)28-12-19(22)21-14-9-15(24-2)11-16(10-14)25-3/h6-11H,5,12H2,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.1 kcal/mol

Physical Properties
Molecular Weight: 389.404 g/mol	logS: -4.29177	SlogP: 2.9066	Reactive groups: 0

Topological Properties
Globularity: 0.0161114	Sterimol/B1: 2.56467	Sterimol/B2: 2.79872	Sterimol/B3: 3.36109
Sterimol/B4: 8.19476	Sterimol/L: 20.7815

Surface and Volume Properties
Accessible surface: 711.152	Positive charged surface: 535.194	Negative charged surface: 175.958	Volume: 364.25
Hydrophobic surface: 568.255	Hydrophilic surface: 142.897

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.