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PUBCHEM-ZINC05651329

 MMsINC code: MMs03337563
Type: Neutral
Formula: C10H19N
SMILES:   N(C)C1(C2CC(C1)CC2)CC
InChI:   InChI=1/C10H19N/c1-3-10(11-2)7-8-4-5-9(10)6-8/h8-9,11H,3-7H2,1-2H3/t8-,9+,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.45733  SlogP: 2.1746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.348062  Sterimol/B1: 2.14574  Sterimol/B2: 3.27038  Sterimol/B3: 4.06257
  Sterimol/B4: 5.59098  Sterimol/L: 9.59064 
 
 Surface and Volume Properties
  Accessible surface: 349.686  Positive charged surface: 279.828  Negative charged surface: 69.8587  Volume: 178.625
  Hydrophobic surface: 317.715  Hydrophilic surface: 31.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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


MMs03337564
PUBCHEM-ZINC05651329