MMsINC Database Search


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MMsINC code: MMs03900966

Type: Neutral
Formula: C₁₅H₁₄F₂N₂O₃

SMILES:

FC(F)Oc1ccc(cc1OC)C(=O)NCc1cccnc1

InChI:

InChI=1/C15H14F2N2O3/c1-21-13-7-11(4-5-12(13)22-15(16)17)14(20)19-9-10-3-2-6-18-8-10/h2-8,15H,9H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1646 kcal/mol

Physical Properties
Molecular Weight: 308.284 g/mol	logS: -2.2254	SlogP: 3.3079	Reactive groups: 0

Topological Properties
Globularity: 0.045547	Sterimol/B1: 1.969	Sterimol/B2: 3.40288	Sterimol/B3: 3.83517
Sterimol/B4: 7.57027	Sterimol/L: 15.4005

Surface and Volume Properties
Accessible surface: 541.299	Positive charged surface: 350.983	Negative charged surface: 190.316	Volume: 270
Hydrophobic surface: 383.298	Hydrophilic surface: 158.001

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.