MMsINC Database Search


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MMsINC code: MMs01952415

Type: Neutral
Formula: C₁₉H₁₅FN₂O₄

SMILES:

Fc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc(OC)cc1

InChI:

InChI=1/C19H15FN2O4/c1-25-15-8-6-14(7-9-15)22-17(23)11-19(18(22)24)10-16(21-26-19)12-2-4-13(20)5-3-12/h2-9H,10-11H2,1H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6186 kcal/mol

Physical Properties
Molecular Weight: 354.337 g/mol	logS: -4.60197	SlogP: 2.661	Reactive groups: 0

Topological Properties
Globularity: 0.0389474	Sterimol/B1: 3.16327	Sterimol/B2: 3.17647	Sterimol/B3: 4.72734
Sterimol/B4: 5.24994	Sterimol/L: 19.662

Surface and Volume Properties
Accessible surface: 584.9	Positive charged surface: 318.102	Negative charged surface: 266.798	Volume: 310.625
Hydrophobic surface: 464.731	Hydrophilic surface: 120.169

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.