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FDA-ZINC03831107

 MMsINC code: MMs01727004
Type: Neutral
Formula: C10H17NO2
SMILES:   O=C1C(CC)(CC)C(=O)NCC1C
InChI:   InChI=1/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.3044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.251 g/mol  logS: -1.64289  SlogP: 1.1278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.337501  Sterimol/B1: 2.39196  Sterimol/B2: 3.38263  Sterimol/B3: 4.31405
  Sterimol/B4: 6.28702  Sterimol/L: 10.2333 
 
 Surface and Volume Properties
  Accessible surface: 372.176  Positive charged surface: 262.015  Negative charged surface: 110.161  Volume: 188.125
  Hydrophobic surface: 244.66  Hydrophilic surface: 127.516
 
 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.