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ASINEX-ZINC04697459

 MMsINC code: MMs00360963
Type: Neutral
Formula: C10H20NO+
SMILES:   O=C1CC([N+](CC1C)(CC)C)C
InChI:   InChI=1/C10H20NO/c1-5-11(4)7-8(2)10(12)6-9(11)3/h8-9H,5-7H2,1-4H3/q+1/t8-,9+,11+/m1/s1

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Potential Energy
Epot(MMFF94)=66.0528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.276 g/mol  logS: -0.45827  SlogP: 1.4503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247994  Sterimol/B1: 2.01445  Sterimol/B2: 3.12192  Sterimol/B3: 3.43976
  Sterimol/B4: 6.78754  Sterimol/L: 9.66482 
 
 Surface and Volume Properties
  Accessible surface: 365.57  Positive charged surface: 267.333  Negative charged surface: 98.2375  Volume: 187.875
  Hydrophobic surface: 248.615  Hydrophilic surface: 116.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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.