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NCID-ZINC05385424

 MMsINC code: MMs02457378
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+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.922 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: 0.143032  Sterimol/B1: 2.33879  Sterimol/B2: 2.91538  Sterimol/B3: 3.20704
  Sterimol/B4: 5.23652  Sterimol/L: 10.9894 
 
 Surface and Volume Properties
  Accessible surface: 338.118  Positive charged surface: 242.967  Negative charged surface: 95.1507  Volume: 151
  Hydrophobic surface: 187.37  Hydrophilic surface: 150.748
 
 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.