MMsINC Database Search


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MMsINC code: MMs01524969

Type: Neutral
Formula: C₁₆H₁₅F₂NO₃

SMILES:

FC(F)Oc1cc(ccc1)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C16H15F2NO3/c1-21-14-8-3-2-5-12(14)10-19-15(20)11-6-4-7-13(9-11)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5017 kcal/mol

Physical Properties
Molecular Weight: 307.296 g/mol	logS: -3.48354	SlogP: 3.9129	Reactive groups: 0

Topological Properties
Globularity: 0.0877918	Sterimol/B1: 2.23052	Sterimol/B2: 3.22023	Sterimol/B3: 4.87742
Sterimol/B4: 7.13153	Sterimol/L: 16.5686

Surface and Volume Properties
Accessible surface: 546.653	Positive charged surface: 320.985	Negative charged surface: 225.668	Volume: 274.75
Hydrophobic surface: 410.35	Hydrophilic surface: 136.303

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.