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PUBCHEM-ZINC06001854

 MMsINC code: MMs03484256
Type: Neutral
Formula: C15H25N3O2
SMILES:   O=C1N(CC1)C1(CCN(CC1)C)C(=O)NC1CCCC1
InChI:   InChI=1/C15H25N3O2/c1-17-10-7-15(8-11-17,18-9-6-13(18)19)14(20)16-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,16,20)

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Potential Energy
Epot(MMFF94)=50.7254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.384 g/mol  logS: -1.26664  SlogP: 0.7419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140159  Sterimol/B1: 2.70463  Sterimol/B2: 3.04924  Sterimol/B3: 4.46044
  Sterimol/B4: 6.27334  Sterimol/L: 14.4605 
 
 Surface and Volume Properties
  Accessible surface: 505.639  Positive charged surface: 347.274  Negative charged surface: 97.4732  Volume: 283.625
  Hydrophobic surface: 439.644  Hydrophilic surface: 65.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules


MMs03484257
PUBCHEM-ZINC06001854