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PUBCHEM-ZINC05707659

 MMsINC code: MMs03354848
Type: Neutral
Formula: C10H18N2O3
SMILES:   O=C1NCCNC1CC(OCCCC)=O
InChI:   InChI=1/C10H18N2O3/c1-2-3-6-15-9(13)7-8-10(14)12-5-4-11-8/h8,11H,2-7H2,1H3,(H,12,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=35.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.01318  SlogP: -0.1922  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0326744  Sterimol/B1: 2.81591  Sterimol/B2: 3.34211  Sterimol/B3: 3.9584
  Sterimol/B4: 4.18035  Sterimol/L: 15.9741 
 
 Surface and Volume Properties
  Accessible surface: 460.015  Positive charged surface: 361.625  Negative charged surface: 98.3909  Volume: 212.875
  Hydrophobic surface: 319.509  Hydrophilic surface: 140.506
 
 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.