MMsINC Database Search


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MMsINC code: MMs03260690

Type: Neutral
Formula: C₁₀H₁₄N₄

SMILES:

N(/N=C(N)N)=C(\Cc1ccccc1)/C

InChI:

InChI=1/C10H14N4/c1-8(13-14-10(11)12)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,11,12,14)/b13-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.7028 kcal/mol

Physical Properties
Molecular Weight: 190.25 g/mol	logS: -2.28585	SlogP: 0.87837	Reactive groups: 0

Topological Properties
Globularity: 0.0903539	Sterimol/B1: 2.36615	Sterimol/B2: 2.49933	Sterimol/B3: 3.93878
Sterimol/B4: 6.99065	Sterimol/L: 12.5972

Surface and Volume Properties
Accessible surface: 424.083	Positive charged surface: 291.232	Negative charged surface: 132.851	Volume: 198
Hydrophobic surface: 271.186	Hydrophilic surface: 152.897

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.