MMsINC Database Search


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MMsINC code: MMs01281583

Type: Neutral
Formula: C₁₆H₁₄ClF₂NO₃

SMILES:

Clc1cc(NC(=O)COc2ccc(cc2)C)ccc1OC(F)F

InChI:

InChI=1/C16H14ClF2NO3/c1-10-2-5-12(6-3-10)22-9-15(21)20-11-4-7-14(13(17)8-11)23-16(18)19/h2-8,16H,9H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1199 kcal/mol

Physical Properties
Molecular Weight: 341.741 g/mol	logS: -4.77415	SlogP: 4.68722	Reactive groups: 0

Topological Properties
Globularity: 0.0121952	Sterimol/B1: 2.8594	Sterimol/B2: 3.10387	Sterimol/B3: 3.96484
Sterimol/B4: 4.85937	Sterimol/L: 19.0902

Surface and Volume Properties
Accessible surface: 581.558	Positive charged surface: 289.692	Negative charged surface: 291.866	Volume: 290.75
Hydrophobic surface: 442.903	Hydrophilic surface: 138.655

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.