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PUBCHEM-ZINC06364571

 MMsINC code: MMs03688662
Type: Neutral
Formula: C13H23N3O4
SMILES:   OC(=O)C1N(CCC1)C(=O)CNC(=O)C(N)CC(C)C
InChI:   InChI=1/C13H23N3O4/c1-8(2)6-9(14)12(18)15-7-11(17)16-5-3-4-10(16)13(19)20/h8-10H,3-7,14H2,1-2H3,(H,15,18)(H,19,20)/t9-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.5242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.344 g/mol  logS: -1.62869  SlogP: -0.4484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522435  Sterimol/B1: 2.2326  Sterimol/B2: 4.12743  Sterimol/B3: 4.8001
  Sterimol/B4: 5.47637  Sterimol/L: 15.7243 
 
 Surface and Volume Properties
  Accessible surface: 550.124  Positive charged surface: 393.761  Negative charged surface: 156.363  Volume: 278.75
  Hydrophobic surface: 305.444  Hydrophilic surface: 244.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.