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ANALYTICONDISCOVERY-ZINC04270759

 MMsINC code: MMs00035112
Type: Neutral
Formula: C17H29N3O4
SMILES:   O(C(=O)C1N(CCN(C1)C(=O)NC(C)C)C(=O)C1CCCCC1)C
InChI:   InChI=1/C17H29N3O4/c1-12(2)18-17(23)19-9-10-20(14(11-19)16(22)24-3)15(21)13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3,(H,18,23)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=76.0883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.436 g/mol  logS: -2.63087  SlogP: 1.3705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556692  Sterimol/B1: 3.18383  Sterimol/B2: 3.81681  Sterimol/B3: 4.73332
  Sterimol/B4: 6.94278  Sterimol/L: 16.8274 
 
 Surface and Volume Properties
  Accessible surface: 605.719  Positive charged surface: 482.804  Negative charged surface: 122.916  Volume: 334.5
  Hydrophobic surface: 492.975  Hydrophilic surface: 112.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.