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NCID-ZINC04773075

 MMsINC code: MMs02403238
Type: Neutral
Formula: C14H26N2O2
SMILES:   O=C(N(O)C1(CCCCC1)C)NC1CCCCC1
InChI:   InChI=1/C14H26N2O2/c1-14(10-6-3-7-11-14)16(18)13(17)15-12-8-4-2-5-9-12/h12,18H,2-11H2,1H3,(H,15,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -2.67721  SlogP: 3.4427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123254  Sterimol/B1: 2.12599  Sterimol/B2: 2.44592  Sterimol/B3: 5.08109
  Sterimol/B4: 6.0062  Sterimol/L: 14.002 
 
 Surface and Volume Properties
  Accessible surface: 491.99  Positive charged surface: 384.565  Negative charged surface: 107.424  Volume: 266.125
  Hydrophobic surface: 428.969  Hydrophilic surface: 63.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.