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ENAMINE-ZINC03309893

 MMsINC code: MMs01363205
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)N2CC(CC(C2)C)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C18H29N3O3/c1-12-4-6-18(7-5-12)16(23)21(17(24)19-18)11-15(22)20-9-13(2)8-14(3)10-20/h12-14H,4-11H2,1-3H3,(H,19,24)/t12-,13-,14-,18+/m0/s1

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Potential Energy
Epot(MMFF94)=33.4542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -3.24512  SlogP: 1.9916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572334  Sterimol/B1: 3.62524  Sterimol/B2: 3.80471  Sterimol/B3: 4.17995
  Sterimol/B4: 4.88885  Sterimol/L: 17.2231 
 
 Surface and Volume Properties
  Accessible surface: 578.311  Positive charged surface: 421.59  Negative charged surface: 156.721  Volume: 332.125
  Hydrophobic surface: 418.385  Hydrophilic surface: 159.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.