MMsINC Database Search


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MMsINC code: MMs01495014

Type: Neutral
Formula: C₁₉H₁₄FNO₄

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OC(=O)c2c(noc2C)C)cc1

InChI:

InChI=1/C19H14FNO4/c1-11-17(12(2)25-21-11)19(23)24-16-9-5-14(6-10-16)18(22)13-3-7-15(20)8-4-13/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.312 kcal/mol

Physical Properties
Molecular Weight: 339.322 g/mol	logS: -5.13986	SlogP: 3.88074	Reactive groups: 0

Topological Properties
Globularity: 0.0444353	Sterimol/B1: 2.17412	Sterimol/B2: 2.95026	Sterimol/B3: 4.3276
Sterimol/B4: 6.82251	Sterimol/L: 17.279

Surface and Volume Properties
Accessible surface: 579.704	Positive charged surface: 272.294	Negative charged surface: 307.41	Volume: 305.25
Hydrophobic surface: 487.93	Hydrophilic surface: 91.774

Pharmacophoric Properties
Hydrogen bond donors: 0	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.