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ENAMINE-ZINC03525725

 MMsINC code: MMs01491495
Type: Neutral
Formula: C15H22N4O3
SMILES:   O(C(=O)c1nccnc1N)CC(=O)N(CC)C1CCCCC1
InChI:   InChI=1/C15H22N4O3/c1-2-19(11-6-4-3-5-7-11)12(20)10-22-15(21)13-14(16)18-9-8-17-13/h8-9,11H,2-7,10H2,1H3,(H2,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.3698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.366 g/mol  logS: -1.30032  SlogP: 1.3968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623329  Sterimol/B1: 2.5645  Sterimol/B2: 2.763  Sterimol/B3: 4.67711
  Sterimol/B4: 8.21654  Sterimol/L: 15.6737 
 
 Surface and Volume Properties
  Accessible surface: 549.71  Positive charged surface: 425.607  Negative charged surface: 124.103  Volume: 294.625
  Hydrophobic surface: 380.149  Hydrophilic surface: 169.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.