MMsINC Database Search


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MMsINC code: MMs02928400

Type: Neutral
Formula: C₁₅H₁₄F₂N₂O₃

SMILES:

FC(F)Oc1ccc(cc1OCC)C(=O)Nc1ccncc1

InChI:

InChI=1/C15H14F2N2O3/c1-2-21-13-9-10(3-4-12(13)22-15(16)17)14(20)19-11-5-7-18-8-6-11/h3-9,15H,2H2,1H3,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0574 kcal/mol

Physical Properties
Molecular Weight: 308.284 g/mol	logS: -2.60857	SlogP: 3.7539	Reactive groups: 0

Topological Properties
Globularity: 0.0256675	Sterimol/B1: 2.46818	Sterimol/B2: 2.54724	Sterimol/B3: 3.1172
Sterimol/B4: 8.43066	Sterimol/L: 14.919

Surface and Volume Properties
Accessible surface: 536.283	Positive charged surface: 339.076	Negative charged surface: 197.206	Volume: 267.875
Hydrophobic surface: 370.237	Hydrophilic surface: 166.046

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.