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NCID-ZINC01707596

 MMsINC code: MMs02335770
Type: Neutral
Formula: C7H14N2O2
SMILES:   OC(=O)C1(N)CCN(CC1)C
InChI:   InChI=1/C7H14N2O2/c1-9-4-2-7(8,3-5-9)6(10)11/h2-5,8H2,1H3,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.6119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: 0.27199  SlogP: -0.5059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186453  Sterimol/B1: 3.12208  Sterimol/B2: 3.49091  Sterimol/B3: 3.62381
  Sterimol/B4: 3.78948  Sterimol/L: 10.8672 
 
 Surface and Volume Properties
  Accessible surface: 343.157  Positive charged surface: 281.752  Negative charged surface: 61.4056  Volume: 156.75
  Hydrophobic surface: 211.837  Hydrophilic surface: 131.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.