MMsINC Database Search


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MMsINC code: MMs02629125

Type: Neutral
Formula: C₁₄H₉Cl₂F₃N₂O

SMILES:

Clc1cc(NC(=O)Nc2ccccc2C(F)(F)F)ccc1Cl

InChI:

InChI=1/C14H9Cl2F3N2O/c15-10-6-5-8(7-11(10)16)20-13(22)21-12-4-2-1-3-9(12)14(17,18)19/h1-7H,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2713 kcal/mol

Physical Properties
Molecular Weight: 349.139 g/mol	logS: -5.77718	SlogP: 5.9677	Reactive groups: 0

Topological Properties
Globularity: 0.0484262	Sterimol/B1: 2.6547	Sterimol/B2: 3.0118	Sterimol/B3: 4.07999
Sterimol/B4: 5.9043	Sterimol/L: 15.6033

Surface and Volume Properties
Accessible surface: 521.507	Positive charged surface: 179.305	Negative charged surface: 342.202	Volume: 269.25
Hydrophobic surface: 381.677	Hydrophilic surface: 139.83

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.