MMsINC Database Search


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MMsINC code: MMs02212739

Type: Neutral
Formula: C₁₁H₁₀Cl₂N₄

SMILES:

Clc1cc(ccc1Cl)-c1c(nc(nc1N)N)C

InChI:

InChI=1/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.6501 kcal/mol

Physical Properties
Molecular Weight: 269.135 g/mol	logS: -4.85085	SlogP: 2.92322	Reactive groups: 0

Topological Properties
Globularity: 0.104769	Sterimol/B1: 2.09775	Sterimol/B2: 2.64488	Sterimol/B3: 4.67871
Sterimol/B4: 6.92006	Sterimol/L: 14.0464

Surface and Volume Properties
Accessible surface: 453.543	Positive charged surface: 232.497	Negative charged surface: 219.359	Volume: 225.25
Hydrophobic surface: 286.798	Hydrophilic surface: 166.745

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.