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MAYBRIDGE-ZINC00136586

 MMsINC code: MMs02138442
Type: Neutral
Formula: C9H15NO
SMILES:   O=C(N)C1C2CCC(C1)CC2
InChI:   InChI=1/C9H15NO/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H2,10,11)/t6-,7+,8-/m0/s1

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Potential Energy
Epot(MMFF94)=28.4605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.225 g/mol  logS: -2.65202  SlogP: 1.298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.394075  Sterimol/B1: 2.81977  Sterimol/B2: 3.53185  Sterimol/B3: 3.9372
  Sterimol/B4: 4.6941  Sterimol/L: 9.80546 
 
 Surface and Volume Properties
  Accessible surface: 327.791  Positive charged surface: 256.455  Negative charged surface: 71.3367  Volume: 157.125
  Hydrophobic surface: 236.155  Hydrophilic surface: 91.636
 
 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.