MMsINC Database Search


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MMsINC code: MMs01661425

Type: Neutral
Formula: C₂₁H₁₀F₂N₂O₂

SMILES:

Fc1cccc(F)c1-c1[nH]c2c(n1)c1c(cc2)C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C21H10F2N2O2/c22-13-6-3-7-14(23)17(13)21-24-15-9-8-12-16(18(15)25-21)20(27)11-5-2-1-4-10(11)19(12)26/h1-9H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.758 kcal/mol

Physical Properties
Molecular Weight: 360.319 g/mol	logS: -7.58032	SlogP: 4.2835	Reactive groups: 0

Topological Properties
Globularity: 9.07268e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.11071	Sterimol/B3: 3.59323
Sterimol/B4: 6.73599	Sterimol/L: 17.2603

Surface and Volume Properties
Accessible surface: 553.934	Positive charged surface: 285.197	Negative charged surface: 268.737	Volume: 310.625
Hydrophobic surface: 463.663	Hydrophilic surface: 90.271

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.