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PUBCHEM-ZINC00220830

 MMsINC code: MMs02641685
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N(C(CC1)C(=O)NC)C1CCCC1
InChI:   InChI=1/C11H18N2O2/c1-12-11(15)9-6-7-10(14)13(9)8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H,12,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=44.0309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.01814  SlogP: 0.666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141488  Sterimol/B1: 2.37255  Sterimol/B2: 3.02962  Sterimol/B3: 3.85183
  Sterimol/B4: 6.68972  Sterimol/L: 12.3575 
 
 Surface and Volume Properties
  Accessible surface: 415.742  Positive charged surface: 336.747  Negative charged surface: 78.9957  Volume: 211
  Hydrophobic surface: 363.381  Hydrophilic surface: 52.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.