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AURORAFEINCHEMIE-ZINC02138958

 MMsINC code: MMs00451372
Type: Neutral
Formula: C19H33N3O4
SMILES:   O(C(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(N)C(CC)C)C
InChI:   InChI=1/C19H33N3O4/c1-4-13(2)16(20)18(24)22-9-5-14(6-10-22)17(23)21-11-7-15(8-12-21)19(25)26-3/h13-16H,4-12,20H2,1-3H3/t13-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=69.0759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.49 g/mol  logS: -1.68692  SlogP: 1.01  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631082  Sterimol/B1: 2.57994  Sterimol/B2: 3.15561  Sterimol/B3: 4.8364
  Sterimol/B4: 6.47106  Sterimol/L: 18.9572 
 
 Surface and Volume Properties
  Accessible surface: 632.615  Positive charged surface: 491.812  Negative charged surface: 140.802  Volume: 367.5
  Hydrophobic surface: 463.899  Hydrophilic surface: 168.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00451373
AURORAFEINCHEMIE-ZINC02138958