MMsINC Database Search


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MMsINC code: MMs00382379

Type: Neutral
Formula: C₁₇H₁₅F₄NO

SMILES:

FC(C(=O)N(Cc1ccccc1)Cc1ccccc1)C(F)(F)F

InChI:

InChI=1/C17H15F4NO/c18-15(17(19,20)21)16(23)22(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.427 kcal/mol

Physical Properties
Molecular Weight: 325.305 g/mol	logS: -4.5996	SlogP: 5.4884	Reactive groups: 1

Topological Properties
Globularity: 0.278403	Sterimol/B1: 2.74778	Sterimol/B2: 2.99402	Sterimol/B3: 5.27898
Sterimol/B4: 7.04027	Sterimol/L: 12.4423

Surface and Volume Properties
Accessible surface: 482.779	Positive charged surface: 237.903	Negative charged surface: 244.877	Volume: 281.125
Hydrophobic surface: 340.365	Hydrophilic surface: 142.414

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.