MMsINC Database Search


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MMsINC code: MMs00603662

Type: Neutral
Formula: C₁₅H₁₃FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)NNC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C15H13FN2O3/c1-21-13-8-4-11(5-9-13)15(20)18-17-14(19)10-2-6-12(16)7-3-10/h2-9H,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7174 kcal/mol

Physical Properties
Molecular Weight: 288.278 g/mol	logS: -3.92876	SlogP: 1.9091	Reactive groups: 0

Topological Properties
Globularity: 0.0021943	Sterimol/B1: 2.37498	Sterimol/B2: 2.37512	Sterimol/B3: 2.79342
Sterimol/B4: 5.65311	Sterimol/L: 18.6313

Surface and Volume Properties
Accessible surface: 519.819	Positive charged surface: 279.525	Negative charged surface: 240.294	Volume: 258.75
Hydrophobic surface: 416.879	Hydrophilic surface: 102.94

Pharmacophoric Properties
Hydrogen bond donors: 2	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.