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NCID-ZINC01671840

 MMsINC code: MMs02307936
Type: Neutral
Formula: C9H20N2O2
SMILES:   O(CCN(C)C)C(=O)N(CC)CC
InChI:   InChI=1/C9H20N2O2/c1-5-11(6-2)9(12)13-8-7-10(3)4/h5-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.55946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.271 g/mol  logS: -0.28625  SlogP: 1.0264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109106  Sterimol/B1: 2.43122  Sterimol/B2: 2.97892  Sterimol/B3: 3.66166
  Sterimol/B4: 6.30954  Sterimol/L: 13.0632 
 
 Surface and Volume Properties
  Accessible surface: 433.267  Positive charged surface: 370.505  Negative charged surface: 62.7614  Volume: 206.125
  Hydrophobic surface: 363.756  Hydrophilic surface: 69.511
 
 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


MMs02307937
NCID-ZINC01671840