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PUBCHEM-ZINC03895694

 MMsINC code: MMs03083656
Type: Neutral
Formula: C20H35N3O3
SMILES:   O=C1N(CCC1)CCCNC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C
InChI:   InChI=1/C20H35N3O3/c1-14(2)18(22-19(25)16-9-7-15(3)8-10-16)20(26)21-11-5-13-23-12-4-6-17(23)24/h14-16,18H,4-13H2,1-3H3,(H,21,26)(H,22,25)/t15-,16-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=41.9924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.518 g/mol  logS: -3.53705  SlogP: 2.0822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455562  Sterimol/B1: 2.52959  Sterimol/B2: 3.43952  Sterimol/B3: 3.93816
  Sterimol/B4: 7.92293  Sterimol/L: 21.0851 
 
 Surface and Volume Properties
  Accessible surface: 687.27  Positive charged surface: 525.501  Negative charged surface: 161.77  Volume: 380.625
  Hydrophobic surface: 539.34  Hydrophilic surface: 147.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.