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IBS-ZINC02414633

 MMsINC code: MMs01856390
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)C(NC(=O)NCCC)CC(C)C
InChI:   InChI=1/C10H20N2O3/c1-4-5-11-10(15)12-8(9(13)14)6-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.23431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.68857  SlogP: 1.1949  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0834211  Sterimol/B1: 3.21191  Sterimol/B2: 3.54757  Sterimol/B3: 3.83599
  Sterimol/B4: 6.04544  Sterimol/L: 14.2489 
 
 Surface and Volume Properties
  Accessible surface: 470.904  Positive charged surface: 333.083  Negative charged surface: 137.821  Volume: 223.875
  Hydrophobic surface: 269.193  Hydrophilic surface: 201.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01856391
IBS-ZINC02414633