MMsINC Database Search


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MMsINC code: MMs02876310

Type: Neutral
Formula: C₁₄H₉Cl₂F₃N₂O

SMILES:

Clc1cccc(Cl)c1NC(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C14H9Cl2F3N2O/c15-10-5-2-6-11(16)12(10)21-13(22)20-9-4-1-3-8(7-9)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)=91.1155 kcal/mol

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

Topological Properties
Globularity: 0.0605219	Sterimol/B1: 2.43986	Sterimol/B2: 2.65916	Sterimol/B3: 5.18031
Sterimol/B4: 6.02863	Sterimol/L: 15.7889

Surface and Volume Properties
Accessible surface: 520.014	Positive charged surface: 182.743	Negative charged surface: 337.271	Volume: 267
Hydrophobic surface: 371.646	Hydrophilic surface: 148.368

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.