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BACHEM-ZINC02384920

 MMsINC code: MMs00482921
Type: Neutral
Formula: C10H18N2O4
SMILES:   OC(=O)CNC(=O)C(NC(=O)C)CC(C)C
InChI:   InChI=1/C10H18N2O4/c1-6(2)4-8(12-7(3)13)10(16)11-5-9(14)15/h6,8H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.3734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -1.4983  SlogP: -0.262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101794  Sterimol/B1: 2.21869  Sterimol/B2: 2.53185  Sterimol/B3: 4.43946
  Sterimol/B4: 7.6245  Sterimol/L: 13.7266 
 
 Surface and Volume Properties
  Accessible surface: 459.91  Positive charged surface: 308.688  Negative charged surface: 151.221  Volume: 221.125
  Hydrophobic surface: 244.659  Hydrophilic surface: 215.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00482922
BACHEM-ZINC02384920