MMsINC Database Search


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MMsINC code: MMs01247134

Type: Neutral
Formula: C₂₀H₂₃NO₆

SMILES:

O(C)c1c(OC)cc(cc1OC)C(OC(C(=O)Nc1ccc(cc1)C)C)=O

InChI:

InChI=1/C20H23NO6/c1-12-6-8-15(9-7-12)21-19(22)13(2)27-20(23)14-10-16(24-3)18(26-5)17(11-14)25-4/h6-11,13H,1-5H3,(H,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.56 kcal/mol

Physical Properties
Molecular Weight: 373.405 g/mol	logS: -4.71531	SlogP: 3.20482	Reactive groups: 0

Topological Properties
Globularity: 0.0379298	Sterimol/B1: 2.58582	Sterimol/B2: 4.58556	Sterimol/B3: 4.95791
Sterimol/B4: 5.98554	Sterimol/L: 19.4936

Surface and Volume Properties
Accessible surface: 679.327	Positive charged surface: 491.841	Negative charged surface: 187.486	Volume: 356.75
Hydrophobic surface: 572.74	Hydrophilic surface: 106.587

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.