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PUBCHEM-ZINC05553408

 MMsINC code: MMs03305304
Type: Neutral
Formula: C7H15NO
SMILES:   O=CNC(CCCC)C
InChI:   InChI=1/C7H15NO/c1-3-4-5-7(2)8-6-9/h6-7H,3-5H2,1-2H3,(H,8,9)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.47434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.203 g/mol  logS: -1.54602  SlogP: 1.3111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101072  Sterimol/B1: 2.70287  Sterimol/B2: 2.93017  Sterimol/B3: 3.75391
  Sterimol/B4: 4.20505  Sterimol/L: 10.9268 
 
 Surface and Volume Properties
  Accessible surface: 349.629  Positive charged surface: 266.183  Negative charged surface: 83.4459  Volume: 149.5
  Hydrophobic surface: 231.275  Hydrophilic surface: 118.354
 
 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.