MMsINC Database Search


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MMsINC code: MMs00382378

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=268.608 kcal/mol

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

Topological Properties
Globularity: 0.115743	Sterimol/B1: 2.96151	Sterimol/B2: 4.03869	Sterimol/B3: 4.35734
Sterimol/B4: 5.34865	Sterimol/L: 14.5664

Surface and Volume Properties
Accessible surface: 494.124	Positive charged surface: 239.486	Negative charged surface: 254.639	Volume: 274.375
Hydrophobic surface: 369.107	Hydrophilic surface: 125.017

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.