MMsINC Database Search


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MMsINC code: MMs02927974

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O₃

SMILES:

FC(F)Oc1ccc(cc1OC)C(=O)Nc1ccncc1

InChI:

InChI=1/C14H12F2N2O3/c1-20-12-8-9(2-3-11(12)21-14(15)16)13(19)18-10-4-6-17-7-5-10/h2-8,14H,1H3,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.355 kcal/mol

Physical Properties
Molecular Weight: 294.257 g/mol	logS: -2.28136	SlogP: 3.3638	Reactive groups: 0

Topological Properties
Globularity: 0.0253023	Sterimol/B1: 2.20169	Sterimol/B2: 2.39864	Sterimol/B3: 3.23937
Sterimol/B4: 7.51223	Sterimol/L: 15.2633

Surface and Volume Properties
Accessible surface: 502.173	Positive charged surface: 325.638	Negative charged surface: 176.535	Volume: 250.875
Hydrophobic surface: 353.236	Hydrophilic surface: 148.937

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.