MMsINC Database Search


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MMsINC code: MMs02205783

Type: Neutral
Formula: C₂₁H₁₁F₂NO₃

SMILES:

Fc1cc(ccc1F)C(=O)Nc1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C21H11F2NO3/c22-15-9-8-11(10-16(15)23)21(27)24-17-7-3-6-14-18(17)20(26)13-5-2-1-4-12(13)19(14)25/h1-10H,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1353 kcal/mol

Physical Properties
Molecular Weight: 363.319 g/mol	logS: -6.44495	SlogP: 3.9925	Reactive groups: 0

Topological Properties
Globularity: 0.0156364	Sterimol/B1: 2.4446	Sterimol/B2: 2.92565	Sterimol/B3: 3.39963
Sterimol/B4: 8.38466	Sterimol/L: 16.2574

Surface and Volume Properties
Accessible surface: 551.73	Positive charged surface: 260.622	Negative charged surface: 291.109	Volume: 310.375
Hydrophobic surface: 465.331	Hydrophilic surface: 86.399

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.