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NCID-ZINC01580072

 MMsINC code: MMs02237744
Type: Neutral
Formula: C10H18N2O2
SMILES:   O=C1N(CCCCCC)C(=O)NC1C
InChI:   InChI=1/C10H18N2O2/c1-3-4-5-6-7-12-9(13)8(2)11-10(12)14/h8H,3-7H2,1-2H3,(H,11,14)/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-11.7927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -2.43634  SlogP: 1.507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711369  Sterimol/B1: 2.83359  Sterimol/B2: 3.04402  Sterimol/B3: 4.2092
  Sterimol/B4: 4.5889  Sterimol/L: 14.4482 
 
 Surface and Volume Properties
  Accessible surface: 440.313  Positive charged surface: 321.233  Negative charged surface: 119.08  Volume: 204.75
  Hydrophobic surface: 287.776  Hydrophilic surface: 152.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.