MMsINC Database Search


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MMsINC code: MMs00558574

Type: Neutral
Formula: C₁₅H₁₂ClF₂NO₂

SMILES:

Clc1cc(F)c(F)cc1C(=O)NCCOc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9949 kcal/mol

Physical Properties
Molecular Weight: 311.715 g/mol	logS: -4.69998	SlogP: 3.427	Reactive groups: 0

Topological Properties
Globularity: 0.0477573	Sterimol/B1: 3.11883	Sterimol/B2: 3.47546	Sterimol/B3: 3.5807
Sterimol/B4: 5.69216	Sterimol/L: 15.9803

Surface and Volume Properties
Accessible surface: 531.653	Positive charged surface: 259.076	Negative charged surface: 272.578	Volume: 265.375
Hydrophobic surface: 495.406	Hydrophilic surface: 36.247

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.