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AURORAFEINCHEMIE-ZINC02130573

 MMsINC code: MMs00451163
Type: Neutral
Formula: C14H26N2O5
SMILES:   O(C(C)(C)C)C(=O)NCCCCCC(=O)NC(C(O)=O)C
InChI:   InChI=1/C14H26N2O5/c1-10(12(18)19)16-11(17)8-6-5-7-9-15-13(20)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=20.5897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.371 g/mol  logS: -1.80441  SlogP: 1.6608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0251214  Sterimol/B1: 2.21999  Sterimol/B2: 2.74623  Sterimol/B3: 3.93081
  Sterimol/B4: 5.03968  Sterimol/L: 21.3479 
 
 Surface and Volume Properties
  Accessible surface: 620.641  Positive charged surface: 447.515  Negative charged surface: 173.127  Volume: 302.375
  Hydrophobic surface: 365.932  Hydrophilic surface: 254.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00451164
AURORAFEINCHEMIE-ZINC02130573