MMsINC Database Search


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MMsINC code: MMs01210213

Type: Neutral
Formula: C₂₀H₁₈F₂N₂O

SMILES:

Fc1cc(ccc1)Cn1c(C(=O)Nc2ccc(F)cc2)c(cc1C)C

InChI:

InChI=1/C20H18F2N2O/c1-13-10-14(2)24(12-15-4-3-5-17(22)11-15)19(13)20(25)23-18-8-6-16(21)7-9-18/h3-11H,12H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4309 kcal/mol

Physical Properties
Molecular Weight: 340.373 g/mol	logS: -4.67674	SlogP: 4.95014	Reactive groups: 0

Topological Properties
Globularity: 0.114425	Sterimol/B1: 2.19585	Sterimol/B2: 2.21935	Sterimol/B3: 5.53818
Sterimol/B4: 8.90893	Sterimol/L: 15.2239

Surface and Volume Properties
Accessible surface: 570.835	Positive charged surface: 295.796	Negative charged surface: 275.039	Volume: 321
Hydrophobic surface: 530.375	Hydrophilic surface: 40.46

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.