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NANOSIN-ZINC04661286

 MMsINC code: MMs02209075
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(CCC1)CCCCCCCN1CCCC1=O
InChI:   InChI=1/C15H26N2O2/c18-14-8-6-12-16(14)10-4-2-1-3-5-11-17-13-7-9-15(17)19/h1-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.90333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -1.51106  SlogP: 2.1817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474447  Sterimol/B1: 2.95544  Sterimol/B2: 2.98559  Sterimol/B3: 4.38519
  Sterimol/B4: 4.40605  Sterimol/L: 18.4046 
 
 Surface and Volume Properties
  Accessible surface: 567.965  Positive charged surface: 445.66  Negative charged surface: 122.305  Volume: 285.25
  Hydrophobic surface: 487.68  Hydrophilic surface: 80.285
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.