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ACROSORGANICS-ZINC01679558

 MMsINC code: MMs00010688
Type: Neutral
Formula: C6H15N
SMILES:   NC(CC(C)C)C
InChI:   InChI=1/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=5.9839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 101.193 g/mol  logS: -1.16853  SlogP: 1.3797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262918  Sterimol/B1: 2.1448  Sterimol/B2: 3.00649  Sterimol/B3: 3.74675
  Sterimol/B4: 4.86657  Sterimol/L: 9.5993 
 
 Surface and Volume Properties
  Accessible surface: 306.154  Positive charged surface: 227.995  Negative charged surface: 78.1585  Volume: 128.875
  Hydrophobic surface: 195.829  Hydrophilic surface: 110.325
 
 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


MMs00010689
ACROSORGANICS-ZINC01679558