MMsINC Database Search


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MMsINC code: MMs02663384

Type: Neutral
Formula: C₁₄H₉Cl₃N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)N)c(Cl)cc1

InChI:

InChI=1/C14H9Cl3N2O2/c15-7-1-3-9(12(17)5-7)14(21)19-8-2-4-11(16)10(6-8)13(18)20/h1-6H,(H2,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4751 kcal/mol

Physical Properties
Molecular Weight: 343.597 g/mol	logS: -5.80986	SlogP: 3.998	Reactive groups: 0

Topological Properties
Globularity: 0.0201219	Sterimol/B1: 2.11485	Sterimol/B2: 3.01014	Sterimol/B3: 3.75151
Sterimol/B4: 5.88793	Sterimol/L: 16.4096

Surface and Volume Properties
Accessible surface: 519.793	Positive charged surface: 200.978	Negative charged surface: 318.815	Volume: 271.875
Hydrophobic surface: 398.302	Hydrophilic surface: 121.491

Pharmacophoric Properties
Hydrogen bond donors: 2	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.