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NCID-ZINC01670384

 MMsINC code: MMs02306423
Type: Neutral
Formula: C7H13NO3
SMILES:   OC(=O)CCCC(NC=O)C
InChI:   InChI=1/C7H13NO3/c1-6(8-5-9)3-2-4-7(10)11/h5-6H,2-4H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.10336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.185 g/mol  logS: -0.2679  SlogP: 0.3758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813852  Sterimol/B1: 2.37451  Sterimol/B2: 2.7612  Sterimol/B3: 2.81671
  Sterimol/B4: 5.55062  Sterimol/L: 11.7583 
 
 Surface and Volume Properties
  Accessible surface: 365.731  Positive charged surface: 258.416  Negative charged surface: 107.316  Volume: 156.625
  Hydrophobic surface: 170.863  Hydrophilic surface: 194.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02306424
NCID-ZINC01670384