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NCID-ZINC01671853

 MMsINC code: MMs02307948
Type: Neutral
Formula: C10H22N2O2
SMILES:   O(CCN(CC)C)C(=O)N(CC)CC
InChI:   InChI=1/C10H22N2O2/c1-5-11(4)8-9-14-10(13)12(6-2)7-3/h5-9H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.87759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: -0.61346  SlogP: 1.4165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154848  Sterimol/B1: 2.27922  Sterimol/B2: 3.76486  Sterimol/B3: 4.6999
  Sterimol/B4: 5.27498  Sterimol/L: 12.8917 
 
 Surface and Volume Properties
  Accessible surface: 463.513  Positive charged surface: 376.429  Negative charged surface: 87.0836  Volume: 223
  Hydrophobic surface: 370.122  Hydrophilic surface: 93.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02307949
NCID-ZINC01671853