MMsINC Database Search


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MMsINC code: MMs02711840

Type: Neutral
Formula: C₁₉H₁₄F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C19H14F2N2O2/c20-13-6-11-18(17(21)12-13)23-19(24)22-14-7-9-16(10-8-14)25-15-4-2-1-3-5-15/h1-12H,(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0546 kcal/mol

Physical Properties
Molecular Weight: 340.329 g/mol	logS: -5.62472	SlogP: 5.4011	Reactive groups: 0

Topological Properties
Globularity: 0.0601326	Sterimol/B1: 2.85093	Sterimol/B2: 3.26004	Sterimol/B3: 4.89505
Sterimol/B4: 5.00701	Sterimol/L: 18.8765

Surface and Volume Properties
Accessible surface: 578.031	Positive charged surface: 303.972	Negative charged surface: 274.059	Volume: 304
Hydrophobic surface: 522.321	Hydrophilic surface: 55.71

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.