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AURORAFEINCHEMIE-ZINC04074027

 MMsINC code: MMs00466789
Type: Neutral
Formula: C19H26N4O5
SMILES:   OC(=O)CNC(=O)CNC(=O)C1CCN(CC1)C(=O)C(N)Cc1ccccc1
InChI:   InChI=1/C19H26N4O5/c20-15(10-13-4-2-1-3-5-13)19(28)23-8-6-14(7-9-23)18(27)22-11-16(24)21-12-17(25)26/h1-5,14-15H,6-12,20H2,(H,21,24)(H,22,27)(H,25,26)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.9121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.44 g/mol  logS: -1.82769  SlogP: -0.88803  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0274577  Sterimol/B1: 2.45322  Sterimol/B2: 3.34676  Sterimol/B3: 3.51594
  Sterimol/B4: 9.21698  Sterimol/L: 21.0007 
 
 Surface and Volume Properties
  Accessible surface: 681.189  Positive charged surface: 445.004  Negative charged surface: 236.185  Volume: 367.125
  Hydrophobic surface: 406.519  Hydrophilic surface: 274.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.