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CHEMBRIDGE-ZINC04031789

 MMsINC code: MMs00760178
Type: Neutral
Formula: C20H28N2
SMILES:   N(N=C1C2CC3CC1CC(C2)C3)=C1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C20H28N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-18H,1-10H2/b21-19-,22-20-/t11-,12+,13-,14+,15-,16+,17-,18+

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Potential Energy
Epot(MMFF94)=56.9723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.458 g/mol  logS: -4.67738  SlogP: 4.6956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125389  Sterimol/B1: 3.58264  Sterimol/B2: 3.63367  Sterimol/B3: 3.64641
  Sterimol/B4: 4.19478  Sterimol/L: 14.7934 
 
 Surface and Volume Properties
  Accessible surface: 538.591  Positive charged surface: 438.155  Negative charged surface: 100.436  Volume: 306.375
  Hydrophobic surface: 528.608  Hydrophilic surface: 9.9830000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.