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PUBCHEM-ZINC03614202

 MMsINC code: MMs03022622
Type: Neutral
Formula: C15H29N3O2
SMILES:   O(CC)C(=O)N1CCN(CC1)CCNC1CCCCC1
InChI:   InChI=1/C15H29N3O2/c1-2-20-15(19)18-12-10-17(11-13-18)9-8-16-14-6-4-3-5-7-14/h14,16H,2-13H2,1H3

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Potential Energy
Epot(MMFF94)=29.9196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.416 g/mol  logS: -1.34596  SlogP: 1.6828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328503  Sterimol/B1: 1.98637  Sterimol/B2: 2.86342  Sterimol/B3: 3.5465
  Sterimol/B4: 7.43953  Sterimol/L: 18.1219 
 
 Surface and Volume Properties
  Accessible surface: 585.198  Positive charged surface: 497.037  Negative charged surface: 88.1608  Volume: 301.625
  Hydrophobic surface: 510.059  Hydrophilic surface: 75.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03022623
PUBCHEM-ZINC03614202