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AURORAFEINCHEMIE-ZINC02130573

 MMsINC code: MMs00451164
Type: Ionized
Formula: C14H25N2O5-
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)/p-1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=7.85314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.363 g/mol  logS: -2.06486  SlogP: 0.3261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261213  Sterimol/B1: 2.62555  Sterimol/B2: 2.82934  Sterimol/B3: 4.03907
  Sterimol/B4: 5.11254  Sterimol/L: 20.9307 
 
 Surface and Volume Properties
  Accessible surface: 620.667  Positive charged surface: 426.71  Negative charged surface: 193.957  Volume: 300.75
  Hydrophobic surface: 377.927  Hydrophilic surface: 242.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00451163
AURORAFEINCHEMIE-ZINC02130573