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AURORAFEINCHEMIE-ZINC05384325

 MMsINC code: MMs00474987
Type: Neutral
Formula: C18H35N3O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)C(C)C)C
InChI:   InChI=1/C18H35N3O4/c1-10(2)8-13(19)16(22)20-14(9-11(3)4)17(23)21-15(12(5)6)18(24)25-7/h10-15H,8-9,19H2,1-7H3,(H,20,22)(H,21,23)/t13-,14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=98.7128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.495 g/mol  logS: -3.8848  SlogP: 1.2045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913792  Sterimol/B1: 1.969  Sterimol/B2: 3.65854  Sterimol/B3: 5.76757
  Sterimol/B4: 8.38291  Sterimol/L: 17.478 
 
 Surface and Volume Properties
  Accessible surface: 667.068  Positive charged surface: 495.704  Negative charged surface: 171.364  Volume: 372.625
  Hydrophobic surface: 442.1  Hydrophilic surface: 224.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00474988
AURORAFEINCHEMIE-ZINC05384325