MMsINC Database Search


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MMsINC code: MMs02862664

Type: Neutral
Formula: C₁₆H₁₂Cl₂N₂O₂

SMILES:

Clc1ccccc1C1=NC(O)C(=O)N(c2c1cc(Cl)cc2)C

InChI:

InChI=1/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.915 kcal/mol

Physical Properties
Molecular Weight: 335.19 g/mol	logS: -4.94417	SlogP: 3.1256	Reactive groups: 0

Topological Properties
Globularity: 0.262371	Sterimol/B1: 2.90945	Sterimol/B2: 4.07297	Sterimol/B3: 5.9915
Sterimol/B4: 7.04244	Sterimol/L: 12.7433

Surface and Volume Properties
Accessible surface: 506.115	Positive charged surface: 247.921	Negative charged surface: 258.194	Volume: 283.375
Hydrophobic surface: 415.607	Hydrophilic surface: 90.508

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.