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NCID-ZINC01671047

 MMsINC code: MMs02307044
Type: Neutral
Formula: C10H19N3O2
SMILES:   O=C(N1CCN(CC1)CCNC(=O)C)C
InChI:   InChI=1/C10H19N3O2/c1-9(14)11-3-4-12-5-7-13(8-6-12)10(2)15/h3-8H2,1-2H3,(H,11,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.6604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.281 g/mol  logS: 0.10886  SlogP: -0.7134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478415  Sterimol/B1: 2.70075  Sterimol/B2: 3.13098  Sterimol/B3: 3.3819
  Sterimol/B4: 4.62374  Sterimol/L: 15.3052 
 
 Surface and Volume Properties
  Accessible surface: 448.803  Positive charged surface: 340.268  Negative charged surface: 108.536  Volume: 217.875
  Hydrophobic surface: 352.108  Hydrophilic surface: 96.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02307045
NCID-ZINC01671047