MMsINC Database Search


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MMsINC code: MMs01502921

Type: Neutral
Formula: C₁₄H₉Cl₂F₂NO₂

SMILES:

Clc1cc(F)c(F)cc1C(=O)Nc1cc(Cl)ccc1OC

InChI:

InChI=1/C14H9Cl2F2NO2/c1-21-13-3-2-7(15)4-12(13)19-14(20)8-5-10(17)11(18)6-9(8)16/h2-6H,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3051 kcal/mol

Physical Properties
Molecular Weight: 332.133 g/mol	logS: -5.46379	SlogP: 4.5325	Reactive groups: 0

Topological Properties
Globularity: 0.0193927	Sterimol/B1: 2.51957	Sterimol/B2: 2.63642	Sterimol/B3: 3.0029
Sterimol/B4: 8.60998	Sterimol/L: 14.1966

Surface and Volume Properties
Accessible surface: 510.152	Positive charged surface: 225.592	Negative charged surface: 284.56	Volume: 259.25
Hydrophobic surface: 479.97	Hydrophilic surface: 30.182

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.