MMsINC Database Search


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MMsINC code: MMs01249054

Type: Neutral
Formula: C₁₅H₈Cl₂F₆N₂O

SMILES:

Clc1cc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1Cl

InChI:

InChI=1/C15H8Cl2F6N2O/c16-11-2-1-9(6-12(11)17)24-13(26)25-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H2,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0077 kcal/mol

Physical Properties
Molecular Weight: 417.136 g/mol	logS: -6.83373	SlogP: 7.298	Reactive groups: 0

Topological Properties
Globularity: 0.0629806	Sterimol/B1: 2.75206	Sterimol/B2: 4.2233	Sterimol/B3: 4.56682
Sterimol/B4: 4.82454	Sterimol/L: 16.5251

Surface and Volume Properties
Accessible surface: 573.504	Positive charged surface: 152.495	Negative charged surface: 421.009	Volume: 294.875
Hydrophobic surface: 307.967	Hydrophilic surface: 265.537

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.