MMsINC Database Search


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MMsINC code: MMs02665548

Type: Neutral
Formula: C₁₅H₁₅F₂N₃O₂

SMILES:

FC(F)c1nn(CC(=O)Nc2cc(ccc2)C(=O)C)c(c1)C

InChI:

InChI=1/C15H15F2N3O2/c1-9-6-13(15(16)17)19-20(9)8-14(22)18-12-5-3-4-11(7-12)10(2)21/h3-7,15H,8H2,1-2H3,(H,18,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0001 kcal/mol

Physical Properties
Molecular Weight: 307.3 g/mol	logS: -2.99161	SlogP: 3.33232	Reactive groups: 0

Topological Properties
Globularity: 0.120987	Sterimol/B1: 2.06224	Sterimol/B2: 4.09502	Sterimol/B3: 5.37515
Sterimol/B4: 7.16855	Sterimol/L: 14.9525

Surface and Volume Properties
Accessible surface: 542.823	Positive charged surface: 288.861	Negative charged surface: 253.962	Volume: 272.875
Hydrophobic surface: 366.303	Hydrophilic surface: 176.52

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.