MMsINC Database Search


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MMsINC code: MMs01467693

Type: Neutral
Formula: C₂₀H₁₅F₂N₃O₃

SMILES:

Fc1ccccc1Nc1ncccc1C(OCC(=O)Nc1ccc(F)cc1)=O

InChI:

InChI=1/C20H15F2N3O3/c21-13-7-9-14(10-8-13)24-18(26)12-28-20(27)15-4-3-11-23-19(15)25-17-6-2-1-5-16(17)22/h1-11H,12H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.283 kcal/mol

Physical Properties
Molecular Weight: 383.354 g/mol	logS: -5.02644	SlogP: 3.8989	Reactive groups: 0

Topological Properties
Globularity: 0.0117969	Sterimol/B1: 2.13855	Sterimol/B2: 3.37299	Sterimol/B3: 4.61895
Sterimol/B4: 5.99466	Sterimol/L: 20.7822

Surface and Volume Properties
Accessible surface: 635.099	Positive charged surface: 364.181	Negative charged surface: 270.917	Volume: 335.25
Hydrophobic surface: 542.654	Hydrophilic surface: 92.445

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.