MMsINC Database Search


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MMsINC code: MMs00897186

Type: Neutral
Formula: C₁₆H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(NC(=O)C(=O)c2ccccc2NC(=O)C)cc(Cl)c1

InChI:

InChI=1/C16H12Cl2N2O3/c1-9(21)19-14-5-3-2-4-13(14)15(22)16(23)20-12-7-10(17)6-11(18)8-12/h2-8H,1H3,(H,19,21)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3442 kcal/mol

Physical Properties
Molecular Weight: 351.189 g/mol	logS: -5.36425	SlogP: 3.7732	Reactive groups: 0

Topological Properties
Globularity: 0.0242444	Sterimol/B1: 2.02324	Sterimol/B2: 3.03533	Sterimol/B3: 3.85834
Sterimol/B4: 8.27648	Sterimol/L: 15.9157

Surface and Volume Properties
Accessible surface: 563.825	Positive charged surface: 248.382	Negative charged surface: 315.444	Volume: 296
Hydrophobic surface: 460.533	Hydrophilic surface: 103.292

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.