MMsINC Database Search


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MMsINC code: MMs03512150

Type: Neutral
Formula: C₂₃H₁₇ClFNO₂

SMILES:

Clc1cccc(F)c1Cn1cc(c2c1cccc2)C(=O)COc1ccccc1

InChI:

InChI=1/C23H17ClFNO2/c24-20-10-6-11-21(25)19(20)14-26-13-18(17-9-4-5-12-22(17)26)23(27)15-28-16-7-2-1-3-8-16/h1-13H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6375 kcal/mol

Physical Properties
Molecular Weight: 393.845 g/mol	logS: -6.51559	SlogP: 6.0102	Reactive groups: 0

Topological Properties
Globularity: 0.0522809	Sterimol/B1: 3.87084	Sterimol/B2: 4.71342	Sterimol/B3: 6.13945
Sterimol/B4: 6.90875	Sterimol/L: 16.3294

Surface and Volume Properties
Accessible surface: 640.191	Positive charged surface: 299.437	Negative charged surface: 334.643	Volume: 360.5
Hydrophobic surface: 592.561	Hydrophilic surface: 47.63

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

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Ions/Tautomers related molecules: no related molecules available.