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MMsINC code: MMs02339893

Type: Neutral
Formula: C₉H₁₄N₂O₄

SMILES:

OC(=O)\C=C\C(=O)NC(C(C)C)C(=O)N

InChI:

InChI=1/C9H14N2O4/c1-5(2)8(9(10)15)11-6(12)3-4-7(13)14/h3-5,8H,1-2H3,(H2,10,15)(H,11,12)(H,13,14)/b4-3+/t8-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.4944 kcal/mol

Physical Properties
Molecular Weight: 214.221 g/mol	logS: -1.27408	SlogP: -0.7467	Reactive groups: 0

Topological Properties
Globularity: 0.121699	Sterimol/B1: 2.46667	Sterimol/B2: 2.74649	Sterimol/B3: 3.97349
Sterimol/B4: 5.95377	Sterimol/L: 13.5436

Surface and Volume Properties
Accessible surface: 421.536	Positive charged surface: 255.575	Negative charged surface: 165.961	Volume: 197.25
Hydrophobic surface: 155.54	Hydrophilic surface: 265.996

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02339894
NCID-ZINC01713395