MMsINC Database Search


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MMsINC code: MMs01453810

Type: Neutral
Formula: C₁₅H₁₂ClF₂NO₂

SMILES:

Clc1ccccc1CNC(=O)c1ccccc1OC(F)F

InChI:

InChI=1/C15H12ClF2NO2/c16-12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)21-15(17)18/h1-8,15H,9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5886 kcal/mol

Physical Properties
Molecular Weight: 311.715 g/mol	logS: -4.16745	SlogP: 4.5577	Reactive groups: 0

Topological Properties
Globularity: 0.064607	Sterimol/B1: 2.41117	Sterimol/B2: 4.34811	Sterimol/B3: 5.0898
Sterimol/B4: 5.90095	Sterimol/L: 14.8364

Surface and Volume Properties
Accessible surface: 515.44	Positive charged surface: 241.182	Negative charged surface: 274.258	Volume: 266.125
Hydrophobic surface: 396.482	Hydrophilic surface: 118.958

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.