MMsINC Database Search


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MMsINC code: MMs00513343

Type: Neutral
Formula: C₁₉H₁₅FN₂O₄

SMILES:

Fc1ccc(cc1)CN1C(=O)\C(=C/c2cc(OC)ccc2)\C(=O)NC1=O

InChI:

InChI=1/C19H15FN2O4/c1-26-15-4-2-3-13(9-15)10-16-17(23)21-19(25)22(18(16)24)11-12-5-7-14(20)8-6-12/h2-10H,11H2,1H3,(H,21,23,25)/b16-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0867 kcal/mol

Physical Properties
Molecular Weight: 354.337 g/mol	logS: -4.81837	SlogP: 2.7627	Reactive groups: 0

Topological Properties
Globularity: 0.110992	Sterimol/B1: 3.09575	Sterimol/B2: 3.77911	Sterimol/B3: 4.78242
Sterimol/B4: 7.72472	Sterimol/L: 15.2192

Surface and Volume Properties
Accessible surface: 568.066	Positive charged surface: 343.194	Negative charged surface: 224.872	Volume: 311.75
Hydrophobic surface: 435.862	Hydrophilic surface: 132.204

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.