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MMsINC code: MMs03219328

Type: Neutral
Formula: C₁₀H₁₇NO₃

SMILES:

OC1C(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/h6-8,13H,1-4H3,(H,11,14)/t6-,7+,8-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7746 kcal/mol

Physical Properties
Molecular Weight: 199.25 g/mol	logS: -0.73712	SlogP: 0.097	Reactive groups: 0

Topological Properties
Globularity: 0.176896	Sterimol/B1: 3.10657	Sterimol/B2: 3.28909	Sterimol/B3: 3.57195
Sterimol/B4: 5.24073	Sterimol/L: 11.6707

Surface and Volume Properties
Accessible surface: 385.139	Positive charged surface: 253.73	Negative charged surface: 131.409	Volume: 196.625
Hydrophobic surface: 230.92	Hydrophilic surface: 154.219

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs03219329
PUBCHEM-ZINC05167036