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ANALYTICONDISCOVERY-ZINC05414472

 MMsINC code: MMs00036963
Type: Neutral
Formula: C19H30N4O4
SMILES:   O=C1NCCCC1NC(=O)C1N(CCN(C1)C(=O)C1CCCCC1)C(=O)C
InChI:   InChI=1/C19H30N4O4/c1-13(24)23-11-10-22(19(27)14-6-3-2-4-7-14)12-16(23)18(26)21-15-8-5-9-20-17(15)25/h14-16H,2-12H2,1H3,(H,20,25)(H,21,26)/t15-,16-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.473 g/mol  logS: -2.63194  SlogP: 0.0208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483463  Sterimol/B1: 2.09988  Sterimol/B2: 3.30501  Sterimol/B3: 3.53315
  Sterimol/B4: 8.60329  Sterimol/L: 18.5131 
 
 Surface and Volume Properties
  Accessible surface: 633.067  Positive charged surface: 489.164  Negative charged surface: 143.903  Volume: 361.375
  Hydrophobic surface: 498.534  Hydrophilic surface: 134.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.