MMsINC Database Search


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MMsINC code: MMs01454238

Type: Neutral
Formula: C₁₈H₁₄F₃N₃O₂

SMILES:

FC(F)(F)CNC(=O)C1=NN(Cc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C18H14F3N3O2/c19-18(20,21)11-22-16(25)15-13-8-4-5-9-14(13)17(26)24(23-15)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.527 kcal/mol

Physical Properties
Molecular Weight: 361.323 g/mol	logS: -5.10892	SlogP: 3.4115	Reactive groups: 0

Topological Properties
Globularity: 0.112868	Sterimol/B1: 2.26854	Sterimol/B2: 3.44234	Sterimol/B3: 5.25366
Sterimol/B4: 9.4606	Sterimol/L: 13.6071

Surface and Volume Properties
Accessible surface: 572.929	Positive charged surface: 278.78	Negative charged surface: 294.148	Volume: 306.5
Hydrophobic surface: 389.768	Hydrophilic surface: 183.161

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.