MMsINC Database Search


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MMsINC code: MMs01309276

Type: Neutral
Formula: C₁₅H₁₁F₄NO

SMILES:

Fc1c(F)c(cc(F)c1F)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C15H11F4NO/c1-8(9-5-3-2-4-6-9)20-15(21)10-7-11(16)13(18)14(19)12(10)17/h2-8H,1H3,(H,20,21)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.773 kcal/mol

Physical Properties
Molecular Weight: 297.251 g/mol	logS: -4.80604	SlogP: 3.8295	Reactive groups: 0

Topological Properties
Globularity: 0.0713543	Sterimol/B1: 2.17142	Sterimol/B2: 2.28868	Sterimol/B3: 4.7014
Sterimol/B4: 6.46737	Sterimol/L: 14.2872

Surface and Volume Properties
Accessible surface: 491.754	Positive charged surface: 223.63	Negative charged surface: 268.124	Volume: 245.875
Hydrophobic surface: 440.288	Hydrophilic surface: 51.466

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.