MMsINC Database Search


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MMsINC code: MMs00917465

Type: Neutral
Formula: C₁₉H₁₇FN₂O₄

SMILES:

Fc1ccc(NC(=O)C=2c3c(cc(OC)c(OC)c3)C(=O)N(C=2)C)cc1

InChI:

InChI=1/C19H17FN2O4/c1-22-10-15(18(23)21-12-6-4-11(20)5-7-12)13-8-16(25-2)17(26-3)9-14(13)19(22)24/h4-10H,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.381 kcal/mol

Physical Properties
Molecular Weight: 356.353 g/mol	logS: -4.22175	SlogP: 2.9081	Reactive groups: 0

Topological Properties
Globularity: 0.0180196	Sterimol/B1: 1.969	Sterimol/B2: 2.64989	Sterimol/B3: 2.79894
Sterimol/B4: 10.9049	Sterimol/L: 17.177

Surface and Volume Properties
Accessible surface: 593.674	Positive charged surface: 402.808	Negative charged surface: 190.866	Volume: 318.625
Hydrophobic surface: 514.57	Hydrophilic surface: 79.104

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.