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AURORAFEINCHEMIE-ZINC01462963

 MMsINC code: MMs00448484
Type: Neutral
Formula: C10H18N+
SMILES:   [NH2+]=C1CC2CCC1(C)C2(C)C
InChI:   InChI=1/C10H17N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7,11H,4-6H2,1-3H3/p+1/t7-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=60.3235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.261 g/mol  logS: -2.26164  SlogP: 1.0327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.706408  Sterimol/B1: 3.77248  Sterimol/B2: 3.89652  Sterimol/B3: 4.12603
  Sterimol/B4: 4.33388  Sterimol/L: 9.2008 
 
 Surface and Volume Properties
  Accessible surface: 347.139  Positive charged surface: 268.908  Negative charged surface: 78.2308  Volume: 174.75
  Hydrophobic surface: 249.655  Hydrophilic surface: 97.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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


MMs00448486
AURORAFEINCHEMIE-ZINC01462963


MMs00448485
AURORAFEINCHEMIE-ZINC01462963