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PUBCHEM-ZINC06762429

 MMsINC code: MMs03855821
Type: Neutral
Formula: C12H25N3O3
SMILES:   OC(=O)C(NC(=O)NCCCN(C)C)CC(C)C
InChI:   InChI=1/C12H25N3O3/c1-9(2)8-10(11(16)17)14-12(18)13-6-5-7-15(3)4/h9-10H,5-8H2,1-4H3,(H,16,17)(H2,13,14,18)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.49118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.35 g/mol  logS: -1.25925  SlogP: 0.7366  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0489689  Sterimol/B1: 1.969  Sterimol/B2: 3.4036  Sterimol/B3: 4.73866
  Sterimol/B4: 6.62455  Sterimol/L: 16.5124 
 
 Surface and Volume Properties
  Accessible surface: 548.638  Positive charged surface: 434.592  Negative charged surface: 114.046  Volume: 268.5
  Hydrophobic surface: 363.31  Hydrophilic surface: 185.328
 
 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: no related molecules available.