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PUBCHEM-ZINC02584585

 MMsINC code: MMs02904636
Type: Neutral
Formula: C9H21N
SMILES:   NCCCCCCC(C)C
InChI:   InChI=1/C9H21N/c1-9(2)7-5-3-4-6-8-10/h9H,3-8,10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.51068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.274 g/mol  logS: -2.9022  SlogP: 2.5516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506652  Sterimol/B1: 2.11544  Sterimol/B2: 2.55318  Sterimol/B3: 3.32694
  Sterimol/B4: 4.61959  Sterimol/L: 14.4487 
 
 Surface and Volume Properties
  Accessible surface: 409.873  Positive charged surface: 334.861  Negative charged surface: 75.0127  Volume: 182.25
  Hydrophobic surface: 300.293  Hydrophilic surface: 109.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs02904637
PUBCHEM-ZINC02584585