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VITASM-ZINC04617021

 MMsINC code: MMs03954321
Type: Neutral
Formula: C11H20N2O4
SMILES:   O1CCN(CC1)CCCNC(=O)CCC(O)=O
InChI:   InChI=1/C11H20N2O4/c14-10(2-3-11(15)16)12-4-1-5-13-6-8-17-9-7-13/h1-9H2,(H,12,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=21.7906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: 0.08607  SlogP: -0.3103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279115  Sterimol/B1: 2.34371  Sterimol/B2: 2.96795  Sterimol/B3: 3.2946
  Sterimol/B4: 5.15743  Sterimol/L: 17.8755 
 
 Surface and Volume Properties
  Accessible surface: 499.102  Positive charged surface: 400.777  Negative charged surface: 98.3252  Volume: 238.375
  Hydrophobic surface: 333.705  Hydrophilic surface: 165.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.