MMsINC Database Search


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MMsINC code: MMs00850457

Type: Neutral
Formula: C₁₈H₁₃FN₂O₄

SMILES:

Fc1ccc(cc1)-c1onc(c1)C(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C18H13FN2O4/c1-24-18(23)13-4-2-3-5-14(13)20-17(22)15-10-16(25-21-15)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2478 kcal/mol

Physical Properties
Molecular Weight: 340.31 g/mol	logS: -5.22603	SlogP: 3.5196	Reactive groups: 0

Topological Properties
Globularity: 0.0165587	Sterimol/B1: 1.969	Sterimol/B2: 2.28298	Sterimol/B3: 3.2912
Sterimol/B4: 8.91879	Sterimol/L: 17.7562

Surface and Volume Properties
Accessible surface: 588.069	Positive charged surface: 326.296	Negative charged surface: 261.772	Volume: 299.75
Hydrophobic surface: 493.055	Hydrophilic surface: 95.014

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.