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CHEMDIV-ZINC06917768

 MMsINC code: MMs01061993
Type: Neutral
Formula: C14H23N5O
SMILES:   O=C(N1CCN(CC1)C)CN1CCCn2nc(cc12)C
InChI:   InChI=1/C14H23N5O/c1-12-10-13-18(4-3-5-19(13)15-12)11-14(20)17-8-6-16(2)7-9-17/h10H,3-9,11H2,1-2H3

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Potential Energy
Epot(MMFF94)=124.981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.372 g/mol  logS: -0.73091  SlogP: 0.44202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0761669  Sterimol/B1: 2.07006  Sterimol/B2: 3.46265  Sterimol/B3: 3.77058
  Sterimol/B4: 8.02711  Sterimol/L: 15.7061 
 
 Surface and Volume Properties
  Accessible surface: 536.512  Positive charged surface: 438.316  Negative charged surface: 98.1964  Volume: 279.375
  Hydrophobic surface: 479.247  Hydrophilic surface: 57.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01061994
CHEMDIV-ZINC06917768