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PUBCHEM-ZINC05314029

 MMsINC code: MMs03237676
Type: Neutral
Formula: C18H35NO2
SMILES:   O(C(=O)CN(CC)CC)C1CCCCCCCCCCC1
InChI:   InChI=1/C18H35NO2/c1-3-19(4-2)16-18(20)21-17-14-12-10-8-6-5-7-9-11-13-15-17/h17H,3-16H2,1-2H3

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Potential Energy
Epot(MMFF94)=109.357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.483 g/mol  logS: -5.11348  SlogP: 4.5447  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.126879  Sterimol/B1: 2.92778  Sterimol/B2: 3.77258  Sterimol/B3: 5.76534
  Sterimol/B4: 6.15739  Sterimol/L: 15.8541 
 
 Surface and Volume Properties
  Accessible surface: 592.238  Positive charged surface: 456.85  Negative charged surface: 135.388  Volume: 336.375
  Hydrophobic surface: 530.002  Hydrophilic surface: 62.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03237677
PUBCHEM-ZINC05314029