MMsINC Database Search


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MMsINC code: MMs03470551

Type: Neutral
Formula: C₁₁H₁₀N₄

SMILES:

n1c(N)c2-c3c(Cc2nc1N)cccc3

InChI:

InChI=1/C11H10N4/c12-10-9-7-4-2-1-3-6(7)5-8(9)14-11(13)15-10/h1-4H,5H2,(H4,12,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.599 kcal/mol

Physical Properties
Molecular Weight: 198.229 g/mol	logS: -3.37923	SlogP: 1.21217	Reactive groups: 0

Topological Properties
Globularity: 0.00846427	Sterimol/B1: 2.37827	Sterimol/B2: 2.37984	Sterimol/B3: 3.80975
Sterimol/B4: 4.89521	Sterimol/L: 12.6909

Surface and Volume Properties
Accessible surface: 392.785	Positive charged surface: 253.429	Negative charged surface: 128.464	Volume: 188
Hydrophobic surface: 218.455	Hydrophilic surface: 174.33

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.