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MDPI-ZINC03845997

 MMsINC code: MMs02179418
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N)C1CCC(C)(C)C1(C)C
InChI:   InChI=1/C10H19NO/c1-9(2)6-5-7(8(11)12)10(9,3)4/h7H,5-6H2,1-4H3,(H2,11,12)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=64.6846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -3.26928  SlogP: 1.9341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.404119  Sterimol/B1: 2.61794  Sterimol/B2: 3.13818  Sterimol/B3: 4.34122
  Sterimol/B4: 4.839  Sterimol/L: 10.2333 
 
 Surface and Volume Properties
  Accessible surface: 351.689  Positive charged surface: 246.513  Negative charged surface: 105.176  Volume: 186.125
  Hydrophobic surface: 208.568  Hydrophilic surface: 143.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.