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CHEMDIV-ZINC00212620

 MMsINC code: MMs00840940
Type: Neutral
Formula: C15H28N2O
SMILES:   O=C(N1CCCCCC1)C1CCCN(C1)C(C)C
InChI:   InChI=1/C15H28N2O/c1-13(2)17-11-7-8-14(12-17)15(18)16-9-5-3-4-6-10-16/h13-14H,3-12H2,1-2H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=51.8605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.402 g/mol  logS: -1.47421  SlogP: 2.5094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10363  Sterimol/B1: 3.34893  Sterimol/B2: 4.15294  Sterimol/B3: 4.49625
  Sterimol/B4: 4.86032  Sterimol/L: 14.3109 
 
 Surface and Volume Properties
  Accessible surface: 493.497  Positive charged surface: 389.315  Negative charged surface: 104.182  Volume: 275.875
  Hydrophobic surface: 431.653  Hydrophilic surface: 61.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00840941
CHEMDIV-ZINC00212620