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NCID-ZINC04748292

 MMsINC code: MMs02400256
Type: Neutral
Formula: C18H24N4O7
SMILES:   O(C(=O)CNC(=O)CNC(=O)CNC(=O)CNC(OCc1ccccc1)=O)CC
InChI:   InChI=1/C18H24N4O7/c1-2-28-17(26)11-21-15(24)9-19-14(23)8-20-16(25)10-22-18(27)29-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,19,23)(H,20,25)(H,21,24)(H,22,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.411 g/mol  logS: -2.86092  SlogP: -0.9091  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0106755  Sterimol/B1: 3.01604  Sterimol/B2: 3.61798  Sterimol/B3: 3.61821
  Sterimol/B4: 4.71732  Sterimol/L: 28.6061 
 
 Surface and Volume Properties
  Accessible surface: 767.561  Positive charged surface: 520.764  Negative charged surface: 246.797  Volume: 372.375
  Hydrophobic surface: 464.969  Hydrophilic surface: 302.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.