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PUBCHEM-ZINC05314048

 MMsINC code: MMs03237684
Type: Neutral
Formula: C10H19N3O2
SMILES:   O=C1NC(=O)CN(C1)CCN(CC)CC
InChI:   InChI=1/C10H19N3O2/c1-3-12(4-2)5-6-13-7-9(14)11-10(15)8-13/h3-8H2,1-2H3,(H,11,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.281 g/mol  logS: -0.74946  SlogP: -0.7134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138121  Sterimol/B1: 2.46955  Sterimol/B2: 3.57002  Sterimol/B3: 4.38832
  Sterimol/B4: 6.25462  Sterimol/L: 12.5686 
 
 Surface and Volume Properties
  Accessible surface: 440.559  Positive charged surface: 319.455  Negative charged surface: 121.105  Volume: 214.75
  Hydrophobic surface: 263.4  Hydrophilic surface: 177.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03237685
PUBCHEM-ZINC05314048