MMsINC Database Search


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MMsINC code: MMs01242319

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(C)c1cc(N(C(=O)CC)CCN2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

InChI=1/C20H20N2O4/c1-3-18(23)21(14-7-6-8-15(13-14)26-2)11-12-22-19(24)16-9-4-5-10-17(16)20(22)25/h4-10,13H,3,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7996 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.08468	SlogP: 2.7344	Reactive groups: 0

Topological Properties
Globularity: 0.0674255	Sterimol/B1: 1.969	Sterimol/B2: 3.67309	Sterimol/B3: 4.45635
Sterimol/B4: 9.32114	Sterimol/L: 17.0496

Surface and Volume Properties
Accessible surface: 616.949	Positive charged surface: 396.887	Negative charged surface: 220.062	Volume: 337.375
Hydrophobic surface: 484.787	Hydrophilic surface: 132.162

Pharmacophoric Properties
Hydrogen bond donors: 0	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.