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CHEMSTAR-ZINC04015554

 MMsINC code: MMs01086942
Type: Neutral
Formula: C18H25N3O7
SMILES:   O(C(=O)CNC(OC(C)(C)C)=O)CC(NC(OCc1ccccc1)=O)C(=O)N
InChI:   InChI=1/C18H25N3O7/c1-18(2,3)28-16(24)20-9-14(22)26-11-13(15(19)23)21-17(25)27-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,19,23)(H,20,24)(H,21,25)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.3414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.412 g/mol  logS: -3.52558  SlogP: 1.101  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0440097  Sterimol/B1: 3.51943  Sterimol/B2: 3.61702  Sterimol/B3: 3.73921
  Sterimol/B4: 9.09753  Sterimol/L: 20.0727 
 
 Surface and Volume Properties
  Accessible surface: 729.113  Positive charged surface: 476.954  Negative charged surface: 252.159  Volume: 365.875
  Hydrophobic surface: 433.918  Hydrophilic surface: 295.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.