MMsINC Database Search


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MMsINC code: MMs00590691

Type: Neutral
Formula: C₁₄H₉Cl₂F₂NO

SMILES:

Clc1cc(Cl)ccc1NC(=O)Cc1ccc(F)cc1F

InChI:

InChI=1/C14H9Cl2F2NO/c15-9-2-4-13(11(16)6-9)19-14(20)5-8-1-3-10(17)7-12(8)18/h1-4,6-7H,5H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0879 kcal/mol

Physical Properties
Molecular Weight: 316.134 g/mol	logS: -5.47488	SlogP: 4.45277	Reactive groups: 0

Topological Properties
Globularity: 0.0783279	Sterimol/B1: 2.41607	Sterimol/B2: 4.46094	Sterimol/B3: 4.6527
Sterimol/B4: 5.03691	Sterimol/L: 15.4134

Surface and Volume Properties
Accessible surface: 498.521	Positive charged surface: 195.606	Negative charged surface: 302.915	Volume: 253.875
Hydrophobic surface: 468.377	Hydrophilic surface: 30.144

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.