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PUBCHEM-ZINC05625065

 MMsINC code: MMs03327653
Type: Ionized
Formula: C14H23N4O4+
SMILES:   O1CC[NH+](CC1)CC(=O)NC=1N(CC(C)C)C(=O)NC(=O)C=1
InChI:   InChI=1/C14H22N4O4/c1-10(2)8-18-11(7-12(19)16-14(18)21)15-13(20)9-17-3-5-22-6-4-17/h7,10H,3-6,8-9H2,1-2H3,(H,15,20)(H,16,19,21)/p+1

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Potential Energy
Epot(MMFF94)=40.0144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.362 g/mol  logS: -1.73012  SlogP: -1.9331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863137  Sterimol/B1: 2.6051  Sterimol/B2: 3.74874  Sterimol/B3: 4.44115
  Sterimol/B4: 7.68795  Sterimol/L: 13.978 
 
 Surface and Volume Properties
  Accessible surface: 546.698  Positive charged surface: 398.474  Negative charged surface: 148.224  Volume: 296
  Hydrophobic surface: 323.157  Hydrophilic surface: 223.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs03327652
PUBCHEM-ZINC05625065