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ANALYTICONDISCOVERY-ZINC04277894

 MMsINC code: MMs00035435
Type: Neutral
Formula: C17H30N4O4
SMILES:   O(CC(=O)N1CCNCC1C(=O)NC(CC1CCCCC1)C(=O)N)C
InChI:   InChI=1/C17H30N4O4/c1-25-11-15(22)21-8-7-19-10-14(21)17(24)20-13(16(18)23)9-12-5-3-2-4-6-12/h12-14,19H,2-11H2,1H3,(H2,18,23)(H,20,24)/t13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=136.373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.451 g/mol  logS: -3.16971  SlogP: -0.6263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655028  Sterimol/B1: 3.54854  Sterimol/B2: 3.60984  Sterimol/B3: 4.00443
  Sterimol/B4: 8.35596  Sterimol/L: 16.1115 
 
 Surface and Volume Properties
  Accessible surface: 616.303  Positive charged surface: 517.839  Negative charged surface: 98.464  Volume: 342.5
  Hydrophobic surface: 457.6  Hydrophilic surface: 158.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.