MMsINC Database Search


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MMsINC code: MMs02320428

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂

SMILES:

Clc1ccc(N(N)c2ccc(Cl)cc2)cc1

InChI:

InChI=1/C12H10Cl2N2/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7107 kcal/mol

Physical Properties
Molecular Weight: 253.132 g/mol	logS: -4.45371	SlogP: 4.0052	Reactive groups: 0

Topological Properties
Globularity: 0.067236	Sterimol/B1: 2.69654	Sterimol/B2: 3.13979	Sterimol/B3: 3.46814
Sterimol/B4: 5.13421	Sterimol/L: 14.2956

Surface and Volume Properties
Accessible surface: 441.709	Positive charged surface: 177.184	Negative charged surface: 264.525	Volume: 220.625
Hydrophobic surface: 391.971	Hydrophilic surface: 49.738

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.