MMsINC Database Search


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MMsINC code: MMs00525474

Type: Neutral
Formula: C₂₁H₁₂F₂N₂O₃

SMILES:

Fc1cc(F)ccc1NC(=O)c1cc(N2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

InChI=1/C21H12F2N2O3/c22-13-8-9-18(17(23)11-13)24-19(26)12-4-3-5-14(10-12)25-20(27)15-6-1-2-7-16(15)21(25)28/h1-11H,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.068 kcal/mol

Physical Properties
Molecular Weight: 378.334 g/mol	logS: -6.31854	SlogP: 4.0177	Reactive groups: 0

Topological Properties
Globularity: 0.00753169	Sterimol/B1: 2.62072	Sterimol/B2: 2.84614	Sterimol/B3: 3.81353
Sterimol/B4: 6.5306	Sterimol/L: 19.1658

Surface and Volume Properties
Accessible surface: 595.501	Positive charged surface: 275.391	Negative charged surface: 320.11	Volume: 320.875
Hydrophobic surface: 490.272	Hydrophilic surface: 105.229

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

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Ions/Tautomers related molecules: no related molecules available.