MMsINC Database Search


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MMsINC code: MMs01627224

Type: Neutral
Formula: C₂₀H₂₃NO₄

SMILES:

O(CC(=O)Nc1cc(ccc1C)C(OC)=O)c1ccccc1C(C)C

InChI:

InChI=1/C20H23NO4/c1-13(2)16-7-5-6-8-18(16)25-12-19(22)21-17-11-15(20(23)24-4)10-9-14(17)3/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)=104.293 kcal/mol

Physical Properties
Molecular Weight: 341.407 g/mol	logS: -5.1648	SlogP: 3.92252	Reactive groups: 0

Topological Properties
Globularity: 0.0378677	Sterimol/B1: 2.03244	Sterimol/B2: 3.45827	Sterimol/B3: 3.60599
Sterimol/B4: 9.50426	Sterimol/L: 17.1236

Surface and Volume Properties
Accessible surface: 640.239	Positive charged surface: 430.719	Negative charged surface: 209.52	Volume: 337.25
Hydrophobic surface: 524.319	Hydrophilic surface: 115.92

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.