MMsINC Database Search


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MMsINC code: MMs00080741

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O(CC(O)CN1C(=O)C(NC1=O)(C)C)c1ccc(cc1)C

InChI:

InChI=1/C15H20N2O4/c1-10-4-6-12(7-5-10)21-9-11(18)8-17-13(19)15(2,3)16-14(17)20/h4-7,11,18H,8-9H2,1-3H3,(H,16,20)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5447 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.80501	SlogP: 1.06512	Reactive groups: 0

Topological Properties
Globularity: 0.0474199	Sterimol/B1: 3.27125	Sterimol/B2: 3.31777	Sterimol/B3: 4.24381
Sterimol/B4: 4.56068	Sterimol/L: 17.7522

Surface and Volume Properties
Accessible surface: 550.477	Positive charged surface: 346.278	Negative charged surface: 204.199	Volume: 280.625
Hydrophobic surface: 386.646	Hydrophilic surface: 163.831

Pharmacophoric Properties
Hydrogen bond donors: 2	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.