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NANOSIN-ZINC02024934

 MMsINC code: MMs02201485
Type: Neutral
Formula: C11H20N2O5
SMILES:   O1CCN(CC1)CCNC(CC(OC)=O)C(O)=O
InChI:   InChI=1/C11H20N2O5/c1-17-10(14)8-9(11(15)16)12-2-3-13-4-6-18-7-5-13/h9,12H,2-8H2,1H3,(H,15,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=61.4871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.29 g/mol  logS: 0.16722  SlogP: -1.0755  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0945571  Sterimol/B1: 1.969  Sterimol/B2: 3.41525  Sterimol/B3: 3.93658
  Sterimol/B4: 8.64682  Sterimol/L: 14.3246 
 
 Surface and Volume Properties
  Accessible surface: 502.784  Positive charged surface: 411.936  Negative charged surface: 90.8481  Volume: 245.625
  Hydrophobic surface: 358.346  Hydrophilic surface: 144.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.