MMsINC Database Search


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MMsINC code: MMs02713116

Type: Neutral
Formula: C₁₅H₁₄F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)Nc1ccc(OC)cc1C

InChI:

InChI=1/C15H14F2N2O2/c1-9-7-11(21-2)4-6-13(9)18-15(20)19-14-5-3-10(16)8-12(14)17/h3-8H,1-2H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3599 kcal/mol

Physical Properties
Molecular Weight: 292.285 g/mol	logS: -4.05286	SlogP: 3.92582	Reactive groups: 0

Topological Properties
Globularity: 0.0365788	Sterimol/B1: 2.0893	Sterimol/B2: 2.59718	Sterimol/B3: 3.66719
Sterimol/B4: 7.35655	Sterimol/L: 15.9974

Surface and Volume Properties
Accessible surface: 517.541	Positive charged surface: 313.891	Negative charged surface: 203.65	Volume: 259.375
Hydrophobic surface: 460.416	Hydrophilic surface: 57.125

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