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MMsINC code: MMs02246199

Type: Neutral
Formula: C₉H₁₂N₂O₅

SMILES:

O=C1CCC(=O)C(NC(OC)=O)C1C(=O)N

InChI:

InChI=1/C9H12N2O5/c1-16-9(15)11-7-5(13)3-2-4(12)6(7)8(10)14/h6-7H,2-3H2,1H3,(H2,10,14)(H,11,15)/t6-,7-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.19605 kcal/mol

Physical Properties
Molecular Weight: 228.204 g/mol	logS: -0.45035	SlogP: -1.2555	Reactive groups: 0

Topological Properties
Globularity: 0.0763671	Sterimol/B1: 2.85091	Sterimol/B2: 2.9131	Sterimol/B3: 4.76156
Sterimol/B4: 5.19225	Sterimol/L: 12.2959

Surface and Volume Properties
Accessible surface: 412.308	Positive charged surface: 277.794	Negative charged surface: 134.514	Volume: 194.375
Hydrophobic surface: 205.213	Hydrophilic surface: 207.095

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02246201
NCID-ZINC01591511