MMsINC Database Search


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MMsINC code: MMs02242946

Type: Neutral
Formula: C₂₃H₁₅F₂NO₂

SMILES:

Fc1ccccc1-c1ccc(cc1)-c1nc2c(cc(F)cc2)c(C(O)=O)c1C

InChI:

InChI=1/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.011 kcal/mol

Physical Properties
Molecular Weight: 375.374 g/mol	logS: -7.51481	SlogP: 5.85362	Reactive groups: 0

Topological Properties
Globularity: 0.0189693	Sterimol/B1: 2.81241	Sterimol/B2: 2.88054	Sterimol/B3: 3.13237
Sterimol/B4: 7.47049	Sterimol/L: 18.6598

Surface and Volume Properties
Accessible surface: 601.943	Positive charged surface: 289.188	Negative charged surface: 301.816	Volume: 338.25
Hydrophobic surface: 503.826	Hydrophilic surface: 98.117

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

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Ions/Tautomers related molecules

MMs02242947
NCID-ZINC01587011