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MMsINC code: MMs03219332

Type: Neutral
Formula: C₁₀H₁₇NO₃

SMILES:

OC1\C(=C(/O)\C)\C(=O)NC1C(C)(C)C

InChI:

InChI=1/C10H17NO3/c1-5(12)6-7(13)8(10(2,3)4)11-9(6)14/h7-8,12-13H,1-4H3,(H,11,14)/b6-5-/t7-,8-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.7548 kcal/mol

Physical Properties
Molecular Weight: 199.25 g/mol	logS: -0.83878	SlogP: 0.7238	Reactive groups: 0

Topological Properties
Globularity: 0.173227	Sterimol/B1: 2.66972	Sterimol/B2: 3.38375	Sterimol/B3: 3.7039
Sterimol/B4: 5.6215	Sterimol/L: 11.1314

Surface and Volume Properties
Accessible surface: 385.108	Positive charged surface: 238.158	Negative charged surface: 146.951	Volume: 197.625
Hydrophobic surface: 208.548	Hydrophilic surface: 176.56

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

MMs03219333
PUBCHEM-ZINC05167040