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NCID-ZINC01670782

 MMsINC code: MMs02306806
Type: Neutral
Formula: C15H28N2O
SMILES:   O=C1C(CCCC1CN(C)C)CN1CCCCC1
InChI:   InChI=1/C15H28N2O/c1-16(2)11-13-7-6-8-14(15(13)18)12-17-9-4-3-5-10-17/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=30.3028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.402 g/mol  logS: -1.05238  SlogP: 2.0193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102558  Sterimol/B1: 2.89422  Sterimol/B2: 4.13203  Sterimol/B3: 4.26768
  Sterimol/B4: 5.2453  Sterimol/L: 15.0913 
 
 Surface and Volume Properties
  Accessible surface: 514.453  Positive charged surface: 439.166  Negative charged surface: 75.2875  Volume: 279.25
  Hydrophobic surface: 481.986  Hydrophilic surface: 32.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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


MMs02306807
NCID-ZINC01670782