MMsINC Database Search


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MMsINC code: MMs01279579

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cc(C(OC)=O)c(NC(=O)Cc2cc(C)c(cc2)C)cc1OC

InChI:

InChI=1/C20H23NO5/c1-12-6-7-14(8-13(12)2)9-19(22)21-16-11-18(25-4)17(24-3)10-15(16)20(23)26-5/h6-8,10-11H,9H2,1-5H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.825 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -4.84667	SlogP: 3.28841	Reactive groups: 0

Topological Properties
Globularity: 0.0628316	Sterimol/B1: 2.77171	Sterimol/B2: 4.89447	Sterimol/B3: 5.98945
Sterimol/B4: 6.33185	Sterimol/L: 17.1338

Surface and Volume Properties
Accessible surface: 655.533	Positive charged surface: 495.308	Negative charged surface: 160.225	Volume: 346.625
Hydrophobic surface: 580.795	Hydrophilic surface: 74.738

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