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NCID-ZINC05385421

 MMsINC code: MMs02457375
Type: Neutral
Formula: C7H13NO3
SMILES:   OC1CCCCC1C(=O)NO
InChI:   InChI=1/C7H13NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h5-6,9,11H,1-4H2,(H,8,10)/t5-,6+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.9474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.185 g/mol  logS: -0.4958  SlogP: 0.0429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143017  Sterimol/B1: 2.33854  Sterimol/B2: 2.91672  Sterimol/B3: 3.20672
  Sterimol/B4: 5.2368  Sterimol/L: 10.9898 
 
 Surface and Volume Properties
  Accessible surface: 337.404  Positive charged surface: 242.902  Negative charged surface: 94.502  Volume: 151
  Hydrophobic surface: 186.193  Hydrophilic surface: 151.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.