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ENAMINE-ZINC03310788

 MMsINC code: MMs01363790
Type: Neutral
Formula: C14H25N4O3+
SMILES:   O=C(N)C1CC[NH+](CC1)CC(=O)NC(=O)NC1CCCC1
InChI:   InChI=1/C14H24N4O3/c15-13(20)10-5-7-18(8-6-10)9-12(19)17-14(21)16-11-3-1-2-4-11/h10-11H,1-9H2,(H2,15,20)(H2,16,17,19,21)/p+1

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Potential Energy
Epot(MMFF94)=1.12698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.379 g/mol  logS: -1.40848  SlogP: -1.465  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383672  Sterimol/B1: 2.61086  Sterimol/B2: 3.73243  Sterimol/B3: 3.85017
  Sterimol/B4: 4.5365  Sterimol/L: 19.3271 
 
 Surface and Volume Properties
  Accessible surface: 578.155  Positive charged surface: 448.778  Negative charged surface: 129.377  Volume: 291.125
  Hydrophobic surface: 357.03  Hydrophilic surface: 221.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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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Ions/Tautomers related molecules


MMs01363791
ENAMINE-ZINC03310788