MMsINC Database Search


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MMsINC code: MMs03265555

Type: Neutral
Formula: C₁₄H₂₆N₆O

SMILES:

O=C(N)c1[nH]cnc1N=NN(CCCCC)CCCCC

InChI:

InChI=1/C14H26N6O/c1-3-5-7-9-20(10-8-6-4-2)19-18-14-12(13(15)21)16-11-17-14/h11H,3-10H2,1-2H3,(H2,15,21)(H,16,17)/b19-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.0926 kcal/mol

Physical Properties
Molecular Weight: 294.403 g/mol	logS: -3.66605	SlogP: 3.1897	Reactive groups: 0

Topological Properties
Globularity: 0.0742155	Sterimol/B1: 2.08215	Sterimol/B2: 2.77364	Sterimol/B3: 4.21532
Sterimol/B4: 11.6223	Sterimol/L: 16.3764

Surface and Volume Properties
Accessible surface: 609.99	Positive charged surface: 478.51	Negative charged surface: 131.48	Volume: 305.25
Hydrophobic surface: 412.977	Hydrophilic surface: 197.013

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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: no related molecules available.