MMsINC Database Search


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MMsINC code: MMs01484099

Type: Neutral
Formula: C₁₈H₁₅FO₄

SMILES:

Fc1cc(ccc1)\C=C\C(OCc1ccc(cc1)C(OC)=O)=O

InChI:

InChI=1/C18H15FO4/c1-22-18(21)15-8-5-14(6-9-15)12-23-17(20)10-7-13-3-2-4-16(19)11-13/h2-11H,12H2,1H3/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6861 kcal/mol

Physical Properties
Molecular Weight: 314.312 g/mol	logS: -4.71704	SlogP: 3.6353	Reactive groups: 0

Topological Properties
Globularity: 0.0314238	Sterimol/B1: 3.09124	Sterimol/B2: 3.35121	Sterimol/B3: 4.34375
Sterimol/B4: 6.08686	Sterimol/L: 19.8902

Surface and Volume Properties
Accessible surface: 591.817	Positive charged surface: 333.903	Negative charged surface: 257.914	Volume: 296.125
Hydrophobic surface: 503.054	Hydrophilic surface: 88.763

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.