MMsINC Database Search


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MMsINC code: MMs02675863

Type: Neutral
Formula: C₁₁H₈Cl₂N₂

SMILES:

Clc1cc(Nc2ncccc2)cc(Cl)c1

InChI:

InChI=1/C11H8Cl2N2/c12-8-5-9(13)7-10(6-8)15-11-3-1-2-4-14-11/h1-7H,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.8564 kcal/mol

Physical Properties
Molecular Weight: 239.105 g/mol	logS: -3.5269	SlogP: 4.132	Reactive groups: 0

Topological Properties
Globularity: 0.0329263	Sterimol/B1: 2.85136	Sterimol/B2: 3.06842	Sterimol/B3: 3.3146
Sterimol/B4: 5.60021	Sterimol/L: 13.0243

Surface and Volume Properties
Accessible surface: 426.094	Positive charged surface: 187.599	Negative charged surface: 238.494	Volume: 208.25
Hydrophobic surface: 397.167	Hydrophilic surface: 28.927

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.