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MMsINC code: MMs03221584

Type: Neutral
Formula: C₆H₁₁NO₃

SMILES:

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

InChI:

InChI=1/C6H11NO3/c1-3-7-5(4(2)8)6(9)10/h3-5,8H,1-2H3,(H,9,10)/b7-3-/t4-,5-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.10469e+08 kcal/mol

Physical Properties
Molecular Weight: 145.158 g/mol	logS: 0.15427	SlogP: -0.0889	Reactive groups: 0

Topological Properties
Globularity: 0.240659	Sterimol/B1: 2.24559	Sterimol/B2: 3.15677	Sterimol/B3: 4.16894
Sterimol/B4: 4.48994	Sterimol/L: 9.37989

Surface and Volume Properties
Accessible surface: 327.969	Positive charged surface: 218.571	Negative charged surface: 109.398	Volume: 139.625
Hydrophobic surface: 157.323	Hydrophilic surface: 170.646

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03221586
PUBCHEM-ZINC05187272