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CHEMSTAR-ZINC03079912

 MMsINC code: MMs01082975
Type: Neutral
Formula: C12H16N2O4
SMILES:   O1CCCC1CNC(=O)C(=O)NCc1occc1
InChI:   InChI=1/C12H16N2O4/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h1,3,5,10H,2,4,6-8H2,(H,13,15)(H,14,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=43.243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.27 g/mol  logS: -2.15017  SlogP: 0.4574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387225  Sterimol/B1: 2.6869  Sterimol/B2: 3.27971  Sterimol/B3: 3.57506
  Sterimol/B4: 4.29389  Sterimol/L: 17.2971 
 
 Surface and Volume Properties
  Accessible surface: 508.485  Positive charged surface: 334.06  Negative charged surface: 174.425  Volume: 235.75
  Hydrophobic surface: 377.705  Hydrophilic surface: 130.78
 
 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: no related molecules available.