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ACROSORGANICS-ZINC00119664

 MMsINC code: MMs00004157
Type: Ionized
Formula: C7H10NO3-
SMILES:   O=C([O-])C1N(CCC1)C(=O)C
InChI:   InChI=1/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=34.9267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.161 g/mol  logS: -0.47315  SlogP: -1.2528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176642  Sterimol/B1: 2.96845  Sterimol/B2: 3.45765  Sterimol/B3: 3.97837
  Sterimol/B4: 4.58928  Sterimol/L: 9.43257 
 
 Surface and Volume Properties
  Accessible surface: 331.691  Positive charged surface: 197.804  Negative charged surface: 133.887  Volume: 144
  Hydrophobic surface: 215.065  Hydrophilic surface: 116.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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Parent related molecule:


MMs00004156
ACROSORGANICS-ZINC00119664