MMsINC Database Search


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MMsINC code: MMs00894185

Type: Neutral
Formula: C₂₄H₁₈F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)C=1c2c(cccc2)C(=O)N(C=1)c1cc(C)c(cc1)C

InChI:

InChI=1/C24H18F2N2O2/c1-14-7-9-17(11-15(14)2)28-13-20(18-5-3-4-6-19(18)24(28)30)23(29)27-22-10-8-16(25)12-21(22)26/h3-13H,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.563 kcal/mol

Physical Properties
Molecular Weight: 404.416 g/mol	logS: -7.18767	SlogP: 5.22164	Reactive groups: 0

Topological Properties
Globularity: 0.0590316	Sterimol/B1: 3.32317	Sterimol/B2: 4.46093	Sterimol/B3: 4.55266
Sterimol/B4: 9.73392	Sterimol/L: 16.9439

Surface and Volume Properties
Accessible surface: 649.588	Positive charged surface: 334.255	Negative charged surface: 315.334	Volume: 367.875
Hydrophobic surface: 593.613	Hydrophilic surface: 55.975

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

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Ions/Tautomers related molecules: no related molecules available.