MMsINC Database Search


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MMsINC code: MMs02109512

Type: Neutral
Formula: C₁₉H₁₄FNO₄

SMILES:

Fc1ccc(cc1)C(Oc1cc(-n2cccc2)ccc1C(OC)=O)=O

InChI:

InChI=1/C19H14FNO4/c1-24-19(23)16-9-8-15(21-10-2-3-11-21)12-17(16)25-18(22)13-4-6-14(20)7-5-13/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5327 kcal/mol

Physical Properties
Molecular Weight: 339.322 g/mol	logS: -4.33674	SlogP: 3.6222	Reactive groups: 0

Topological Properties
Globularity: 0.0553667	Sterimol/B1: 2.53699	Sterimol/B2: 3.67601	Sterimol/B3: 3.84879
Sterimol/B4: 9.56295	Sterimol/L: 16.8116

Surface and Volume Properties
Accessible surface: 577.724	Positive charged surface: 311.766	Negative charged surface: 265.958	Volume: 307.5
Hydrophobic surface: 492.428	Hydrophilic surface: 85.296

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.