MMsINC Database Search


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MMsINC code: MMs01625616

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cc(C(OC)=O)c(NC(=O)CC(C)c2ccccc2)cc1OC

InChI:

InChI=1/C20H23NO5/c1-13(14-8-6-5-7-9-14)10-19(22)21-16-12-18(25-3)17(24-2)11-15(16)20(23)26-4/h5-9,11-13H,10H2,1-4H3,(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.96 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -4.29597	SlogP: 3.6227	Reactive groups: 0

Topological Properties
Globularity: 0.0406847	Sterimol/B1: 1.969	Sterimol/B2: 5.02361	Sterimol/B3: 5.91743
Sterimol/B4: 7.24814	Sterimol/L: 18.5062

Surface and Volume Properties
Accessible surface: 650.485	Positive charged surface: 488.519	Negative charged surface: 161.965	Volume: 344.75
Hydrophobic surface: 562.705	Hydrophilic surface: 87.78

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.