MMsINC Database Search


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MMsINC code: MMs01936995

Type: Neutral
Formula: C₂₂H₁₅FN₂O₄

SMILES:

Fc1ccc(cc1)-c1oc(cc1)\C=C/1\C(=O)N(Cc2ccccc2)C(=O)NC\1=O

InChI:

InChI=1/C22H15FN2O4/c23-16-8-6-15(7-9-16)19-11-10-17(29-19)12-18-20(26)24-22(28)25(21(18)27)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26,28)/b18-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4874 kcal/mol

Physical Properties
Molecular Weight: 390.37 g/mol	logS: -6.91474	SlogP: 4.0141	Reactive groups: 0

Topological Properties
Globularity: 0.0656564	Sterimol/B1: 2.35293	Sterimol/B2: 2.35953	Sterimol/B3: 4.66575
Sterimol/B4: 9.9305	Sterimol/L: 14.377

Surface and Volume Properties
Accessible surface: 579.173	Positive charged surface: 293.556	Negative charged surface: 285.617	Volume: 347.875
Hydrophobic surface: 445.248	Hydrophilic surface: 133.925

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.