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AURORAFEINCHEMIE-ZINC02156613

 MMsINC code: MMs00451870
Type: Neutral
Formula: C15H30N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCCC(C)C)C)C(CC)C
InChI:   InChI=1/C15H30N2O3/c1-6-11(4)13(14(18)19)17-15(20)16-12(5)9-7-8-10(2)3/h10-13H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=9.42442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.416 g/mol  logS: -3.76321  SlogP: 2.9997  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.104  Sterimol/B1: 2.15033  Sterimol/B2: 4.79073  Sterimol/B3: 5.71578
  Sterimol/B4: 6.65476  Sterimol/L: 16.5013 
 
 Surface and Volume Properties
  Accessible surface: 592.653  Positive charged surface: 417.718  Negative charged surface: 174.934  Volume: 308.125
  Hydrophobic surface: 374.951  Hydrophilic surface: 217.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00451871
AURORAFEINCHEMIE-ZINC02156613