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NCID-ZINC01715468

 MMsINC code: MMs02341329
Type: Neutral
Formula: C9H19NO
SMILES:   O=C(N)C(CCCCCC)C
InChI:   InChI=1/C9H19NO/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=3.80215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.257 g/mol  logS: -2.8561  SlogP: 2.0782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489281  Sterimol/B1: 2.70088  Sterimol/B2: 3.15647  Sterimol/B3: 3.19749
  Sterimol/B4: 3.97375  Sterimol/L: 14.3965 
 
 Surface and Volume Properties
  Accessible surface: 405.075  Positive charged surface: 306.176  Negative charged surface: 98.8984  Volume: 182.375
  Hydrophobic surface: 262.07  Hydrophilic surface: 143.005
 
 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.