MMsINC Database Search


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MMsINC code: MMs01466527

Type: Neutral
Formula: C₁₄H₁₀ClF₂NO₂

SMILES:

Clc1cc(F)c(F)cc1C(=O)Nc1ccccc1OC

InChI:

InChI=1/C14H10ClF2NO2/c1-20-13-5-3-2-4-12(13)18-14(19)8-6-10(16)11(17)7-9(8)15/h2-7H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3618 kcal/mol

Physical Properties
Molecular Weight: 297.688 g/mol	logS: -4.7295	SlogP: 3.8791	Reactive groups: 0

Topological Properties
Globularity: 0.019175	Sterimol/B1: 2.52153	Sterimol/B2: 2.60451	Sterimol/B3: 2.91065
Sterimol/B4: 7.39947	Sterimol/L: 14.1677

Surface and Volume Properties
Accessible surface: 487.174	Positive charged surface: 248.879	Negative charged surface: 238.295	Volume: 245.5
Hydrophobic surface: 457.783	Hydrophilic surface: 29.391

Pharmacophoric Properties
Hydrogen bond donors: 1	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.