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OAKWOOD-ZINC02576107

 MMsINC code: MMs02546705
Type: Neutral
Formula: C7H11NO3
SMILES:   OC(=O)C1CCCN(C1)C=O
InChI:   InChI=1/C7H11NO3/c9-5-8-3-1-2-6(4-8)7(10)11/h5-6H,1-4H2,(H,10,11)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.502053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.169 g/mol  logS: 0.1419  SlogP: -0.0606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138978  Sterimol/B1: 2.48847  Sterimol/B2: 2.55036  Sterimol/B3: 3.35019
  Sterimol/B4: 5.84074  Sterimol/L: 10.2984 
 
 Surface and Volume Properties
  Accessible surface: 331.416  Positive charged surface: 242.031  Negative charged surface: 89.3852  Volume: 145.5
  Hydrophobic surface: 180.407  Hydrophilic surface: 151.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02546706
OAKWOOD-ZINC02576107