MMsINC Database Search


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MMsINC code: MMs01644959

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₃

SMILES:

FC(F)Oc1c(cccc1OC)\C=C\C=1NC(=O)c2c(N=1)cccc2

InChI:

InChI=1/C18H14F2N2O3/c1-24-14-8-4-5-11(16(14)25-18(19)20)9-10-15-21-13-7-3-2-6-12(13)17(23)22-15/h2-10,18H,1H3,(H,21,22,23)/b10-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8812 kcal/mol

Physical Properties
Molecular Weight: 344.317 g/mol	logS: -4.6498	SlogP: 4.2033	Reactive groups: 0

Topological Properties
Globularity: 0.0128604	Sterimol/B1: 2.29963	Sterimol/B2: 3.46192	Sterimol/B3: 4.10064
Sterimol/B4: 5.51735	Sterimol/L: 17.3626

Surface and Volume Properties
Accessible surface: 569.527	Positive charged surface: 327.102	Negative charged surface: 242.425	Volume: 299.625
Hydrophobic surface: 410.482	Hydrophilic surface: 159.045

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.