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ACROSORGANICS-ZINC00968256

 MMsINC code: MMs00008396
Type: Tautomer
Formula: C10H18N+
SMILES:   [NH3+]C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/p+1/t7-,8+,9-,10-

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Potential Energy
Epot(MMFF94)=26.4626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.261 g/mol  logS: -2.08399  SlogP: 1.1971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.600564  Sterimol/B1: 2.54634  Sterimol/B2: 3.14132  Sterimol/B3: 4.79314
  Sterimol/B4: 4.92759  Sterimol/L: 8.56545 
 
 Surface and Volume Properties
  Accessible surface: 329.247  Positive charged surface: 294.631  Negative charged surface: 34.6161  Volume: 167.75
  Hydrophobic surface: 266.145  Hydrophilic surface: 63.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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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Parent related molecule:


MMs00008395
ACROSORGANICS-ZINC00968256