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PUBCHEM-ZINC04690801

 MMsINC code: MMs03157557
Type: Neutral
Formula: C20H37N3O3
SMILES:   O=C(NC1CCCCCCCCCCC1)CC(CC(=O)NCC(=O)N)C
InChI:   InChI=1/C20H37N3O3/c1-16(13-19(25)22-15-18(21)24)14-20(26)23-17-11-9-7-5-3-2-4-6-8-10-12-17/h16-17H,2-15H2,1H3,(H2,21,24)(H,22,25)(H,23,26)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=99.084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.534 g/mol  logS: -5.25753  SlogP: 2.7937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545692  Sterimol/B1: 3.14845  Sterimol/B2: 3.86139  Sterimol/B3: 4.55193
  Sterimol/B4: 6.07002  Sterimol/L: 21.2405 
 
 Surface and Volume Properties
  Accessible surface: 675.91  Positive charged surface: 507.119  Negative charged surface: 168.79  Volume: 386.125
  Hydrophobic surface: 472.762  Hydrophilic surface: 203.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.