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AURORAFEINCHEMIE-ZINC02138340

 MMsINC code: MMs00451354
Type: Neutral
Formula: C19H33N3O4
SMILES:   OC(=O)C1CCC(CC1)CNC(=O)C1CCN(CC1)C(=O)C(N)C(C)C
InChI:   InChI=1/C19H33N3O4/c1-12(2)16(20)18(24)22-9-7-14(8-10-22)17(23)21-11-13-3-5-15(6-4-13)19(25)26/h12-16H,3-11,20H2,1-2H3,(H,21,23)(H,25,26)/t13-,15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.8791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.49 g/mol  logS: -1.34523  SlogP: 1.2155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698917  Sterimol/B1: 2.92111  Sterimol/B2: 3.43309  Sterimol/B3: 4.99029
  Sterimol/B4: 6.3888  Sterimol/L: 18.7129 
 
 Surface and Volume Properties
  Accessible surface: 642.84  Positive charged surface: 484.165  Negative charged surface: 158.675  Volume: 365
  Hydrophobic surface: 410.98  Hydrophilic surface: 231.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.