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NCID-ZINC04409972

 MMsINC code: MMs02385469
Type: Neutral
Formula: C17H37NO
SMILES:   OCCCCCCCCCN(CCCC)CCCC
InChI:   InChI=1/C17H37NO/c1-3-5-14-18(15-6-4-2)16-12-10-8-7-9-11-13-17-19/h19H,3-17H2,1-2H3

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Potential Energy
Epot(MMFF94)=12.3981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.489 g/mol  logS: -3.72703  SlogP: 4.6116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297612  Sterimol/B1: 2.13932  Sterimol/B2: 2.5543  Sterimol/B3: 3.94821
  Sterimol/B4: 10.8843  Sterimol/L: 19.7429 
 
 Surface and Volume Properties
  Accessible surface: 665.999  Positive charged surface: 554.387  Negative charged surface: 111.612  Volume: 333.25
  Hydrophobic surface: 568.006  Hydrophilic surface: 97.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules


MMs02385470
NCID-ZINC04409972