MMsINC Database Search


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MMsINC code: MMs01522428

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1cc(F)ccc1OCC(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C15H13ClFNO2/c1-10-3-2-4-12(7-10)18-15(19)9-20-14-6-5-11(17)8-13(14)16/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6819 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.93488	SlogP: 3.80502	Reactive groups: 0

Topological Properties
Globularity: 0.017196	Sterimol/B1: 2.54681	Sterimol/B2: 2.62698	Sterimol/B3: 3.24982
Sterimol/B4: 6.00293	Sterimol/L: 17.2572

Surface and Volume Properties
Accessible surface: 521.325	Positive charged surface: 262.029	Negative charged surface: 259.296	Volume: 262
Hydrophobic surface: 471.531	Hydrophilic surface: 49.794

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.