MMsINC Database Search


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MMsINC code: MMs00850472

Type: Neutral
Formula: C₁₆H₁₀Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)c2noc(c2)-c2ccc(Cl)cc2)ccc1

InChI:

InChI=1/C16H10Cl2N2O2/c17-11-6-4-10(5-7-11)15-9-14(20-22-15)16(21)19-13-3-1-2-12(18)8-13/h1-9H,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8558 kcal/mol

Physical Properties
Molecular Weight: 333.174 g/mol	logS: -6.0179	SlogP: 4.9007	Reactive groups: 0

Topological Properties
Globularity: 0.00807994	Sterimol/B1: 2.097	Sterimol/B2: 2.89799	Sterimol/B3: 3.34867
Sterimol/B4: 5.8191	Sterimol/L: 18.9675

Surface and Volume Properties
Accessible surface: 546.647	Positive charged surface: 214.083	Negative charged surface: 332.564	Volume: 281.5
Hydrophobic surface: 471.136	Hydrophilic surface: 75.511

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.