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CHEMDIV-ZINC01848348

 MMsINC code: MMs00868963
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)C(NC(=O)C(N)C(C)C)C(C)C
InChI:   InChI=1/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.6851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.91181  SlogP: 0.1951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116105  Sterimol/B1: 2.75186  Sterimol/B2: 3.00778  Sterimol/B3: 4.08392
  Sterimol/B4: 5.91178  Sterimol/L: 11.9851 
 
 Surface and Volume Properties
  Accessible surface: 419.97  Positive charged surface: 285.629  Negative charged surface: 134.341  Volume: 214.25
  Hydrophobic surface: 194.986  Hydrophilic surface: 224.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.