MMsINC Database Search


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MMsINC code: MMs02901930

Type: Neutral
Formula: C₁₁H₁₀N₄

SMILES:

n1c2c3c(ccc2n(C)c1N)cncc3

InChI:

InChI=1/C11H10N4/c1-15-9-3-2-7-6-13-5-4-8(7)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.181 kcal/mol

Physical Properties
Molecular Weight: 198.229 g/mol	logS: -2.64095	SlogP: 2.0629	Reactive groups: 0

Topological Properties
Globularity: 0.00823226	Sterimol/B1: 2.10391	Sterimol/B2: 2.51313	Sterimol/B3: 3.31639
Sterimol/B4: 5.30256	Sterimol/L: 11.6009

Surface and Volume Properties
Accessible surface: 390.73	Positive charged surface: 283.661	Negative charged surface: 95.9403	Volume: 189.75
Hydrophobic surface: 280.237	Hydrophilic surface: 110.493

Pharmacophoric Properties
Hydrogen bond donors: 1	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.