MMsINC Database Search


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MMsINC code: MMs01109454

Type: Neutral
Formula: C₁₇H₁₇FN₂O₃

SMILES:

Fc1ccccc1C(=O)N\N=C(\C)/c1cc(OC)c(OC)cc1

InChI:

InChI=1/C17H17FN2O3/c1-11(12-8-9-15(22-2)16(10-12)23-3)19-20-17(21)13-6-4-5-7-14(13)18/h4-10H,1-3H3,(H,20,21)/b19-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.13 kcal/mol

Physical Properties
Molecular Weight: 316.332 g/mol	logS: -4.24005	SlogP: 2.9969	Reactive groups: 0

Topological Properties
Globularity: 0.00606548	Sterimol/B1: 2.09241	Sterimol/B2: 2.37704	Sterimol/B3: 2.51209
Sterimol/B4: 8.18467	Sterimol/L: 18.7335

Surface and Volume Properties
Accessible surface: 570.251	Positive charged surface: 364.454	Negative charged surface: 205.797	Volume: 295.75
Hydrophobic surface: 498.873	Hydrophilic surface: 71.378

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.