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PUBCHEM-ZINC06795786

 MMsINC code: MMs03863174
Type: Neutral
Formula: C15H30N2
SMILES:   NC1CC(C)C(CC1)CC1CCC(N)CC1C
InChI:   InChI=1/C15H30N2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h10-15H,3-9,16-17H2,1-2H3/t10-,11-,12-,13+,14-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.2049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.419 g/mol  logS: -3.21032  SlogP: 2.9035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129901  Sterimol/B1: 2.1766  Sterimol/B2: 3.74057  Sterimol/B3: 4.09093
  Sterimol/B4: 6.66616  Sterimol/L: 13.6874 
 
 Surface and Volume Properties
  Accessible surface: 474.283  Positive charged surface: 385.954  Negative charged surface: 88.3298  Volume: 268.5
  Hydrophobic surface: 338.063  Hydrophilic surface: 136.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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


MMs03863175
PUBCHEM-ZINC06795786