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ENAMINE-ZINC03309894

 MMsINC code: MMs01363206
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+/m1/s1

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Potential Energy
Epot(MMFF94)=33.4154 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: 0.0580984  Sterimol/B1: 3.18261  Sterimol/B2: 3.96113  Sterimol/B3: 4.60973
  Sterimol/B4: 4.66288  Sterimol/L: 17.3738 
 
 Surface and Volume Properties
  Accessible surface: 577.715  Positive charged surface: 419.385  Negative charged surface: 158.33  Volume: 334.875
  Hydrophobic surface: 416.209  Hydrophilic surface: 161.506
 
 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.