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PUBCHEM-ZINC01471504

 MMsINC code: MMs02810961
Type: Neutral
Formula: C14H24N2O2
SMILES:   O1CCN(CC1)CCNC(=O)C1C2CC(C1)CC2
InChI:   InChI=1/C14H24N2O2/c17-14(13-10-11-1-2-12(13)9-11)15-3-4-16-5-7-18-8-6-16/h11-13H,1-10H2,(H,15,17)/t11-,12+,13+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.8352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -2.22018  SlogP: 0.871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051253  Sterimol/B1: 3.06533  Sterimol/B2: 3.15542  Sterimol/B3: 3.74951
  Sterimol/B4: 4.51017  Sterimol/L: 16.0218 
 
 Surface and Volume Properties
  Accessible surface: 506.76  Positive charged surface: 428.296  Negative charged surface: 78.4648  Volume: 260.375
  Hydrophobic surface: 454.043  Hydrophilic surface: 52.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02810962
PUBCHEM-ZINC01471504