MMsINC Database Search


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MMsINC code: MMs01468323

Type: Neutral
Formula: C₂₀H₂₃NO₆

SMILES:

O(C)c1cc(OC)ccc1NC(=O)COC(=O)c1ccc(OC(C)C)cc1

InChI:

InChI=1/C20H23NO6/c1-13(2)27-15-7-5-14(6-8-15)20(23)26-12-19(22)21-17-10-9-16(24-3)11-18(17)25-4/h5-11,13H,12H2,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.764 kcal/mol

Physical Properties
Molecular Weight: 373.405 g/mol	logS: -4.5686	SlogP: 3.2865	Reactive groups: 0

Topological Properties
Globularity: 0.0199986	Sterimol/B1: 2.34776	Sterimol/B2: 4.2793	Sterimol/B3: 4.66105
Sterimol/B4: 6.51838	Sterimol/L: 19.7363

Surface and Volume Properties
Accessible surface: 686.942	Positive charged surface: 484.411	Negative charged surface: 202.532	Volume: 354.75
Hydrophobic surface: 541.5	Hydrophilic surface: 145.442

Pharmacophoric Properties
Hydrogen bond donors: 1	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.