MMsINC Database Search


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MMsINC code: MMs00507925

Type: Neutral
Formula: C₁₄H₈ClF₅N₂O

SMILES:

Clc1cc(F)c(F)cc1NC(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C14H8ClF5N2O/c15-9-5-10(16)11(17)6-12(9)22-13(23)21-8-3-1-2-7(4-8)14(18,19)20/h1-6H,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8582 kcal/mol

Physical Properties
Molecular Weight: 350.674 g/mol	logS: -5.63285	SlogP: 5.5925	Reactive groups: 0

Topological Properties
Globularity: 0.0548225	Sterimol/B1: 2.54238	Sterimol/B2: 3.02629	Sterimol/B3: 4.51501
Sterimol/B4: 5.82694	Sterimol/L: 14.5725

Surface and Volume Properties
Accessible surface: 510.423	Positive charged surface: 178.829	Negative charged surface: 331.594	Volume: 259.375
Hydrophobic surface: 358.186	Hydrophilic surface: 152.237

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.