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CHEMDIV-ZINC04046420

 MMsINC code: MMs00924169
Type: Ionized
Formula: C7H10NO3-
SMILES:   O=C1NC(CC1)CCC(=O)[O-]
InChI:   InChI=1/C7H11NO3/c9-6-3-1-5(8-6)2-4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)/p-1/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=2.62661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.161 g/mol  logS: -0.33562  SlogP: -1.2049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164754  Sterimol/B1: 2.5335  Sterimol/B2: 2.77566  Sterimol/B3: 3.61346
  Sterimol/B4: 4.81494  Sterimol/L: 11.0735 
 
 Surface and Volume Properties
  Accessible surface: 334.617  Positive charged surface: 200.566  Negative charged surface: 134.051  Volume: 143.875
  Hydrophobic surface: 162.062  Hydrophilic surface: 172.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs00924168
CHEMDIV-ZINC04046420