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MMsINC code: MMs02017126

Type: Neutral
Formula: C₂₀H₁₂F₂N₂O₃

SMILES:

Fc1cccc(F)c1C(=O)Nc1nc-2c(c(c1)C)C(Oc1c-2cccc1)=O

InChI:

InChI=1/C20H12F2N2O3/c1-10-9-15(24-19(25)17-12(21)6-4-7-13(17)22)23-18-11-5-2-3-8-14(11)27-20(26)16(10)18/h2-9H,1H3,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8582 kcal/mol

Physical Properties
Molecular Weight: 366.323 g/mol	logS: -6.74735	SlogP: 4.12012	Reactive groups: 0

Topological Properties
Globularity: 0.0499171	Sterimol/B1: 2.18083	Sterimol/B2: 3.77737	Sterimol/B3: 3.97458
Sterimol/B4: 9.81083	Sterimol/L: 16.4475

Surface and Volume Properties
Accessible surface: 568.97	Positive charged surface: 282.019	Negative charged surface: 282.28	Volume: 312.125
Hydrophobic surface: 466.429	Hydrophilic surface: 102.541

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.