MMsINC Database Search


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MMsINC code: MMs00577630

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₃

SMILES:

Fc1cc(Nc2c3c(ncc2C(OCC)=O)c(OC)ccc3)ccc1F

InChI:

InChI=1/C19H16F2N2O3/c1-3-26-19(24)13-10-22-18-12(5-4-6-16(18)25-2)17(13)23-11-7-8-14(20)15(21)9-11/h4-10H,3H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.114 kcal/mol

Physical Properties
Molecular Weight: 358.344 g/mol	logS: -4.94302	SlogP: 4.4419	Reactive groups: 0

Topological Properties
Globularity: 0.104821	Sterimol/B1: 2.36354	Sterimol/B2: 3.90084	Sterimol/B3: 4.2917
Sterimol/B4: 10.002	Sterimol/L: 14.8077

Surface and Volume Properties
Accessible surface: 594.819	Positive charged surface: 390.519	Negative charged surface: 201.538	Volume: 318.25
Hydrophobic surface: 508.71	Hydrophilic surface: 86.109

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.