MMsINC Database Search


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MMsINC code: MMs02277275

Type: Neutral
Formula: C₁₈H₁₁FO₃

SMILES:

Fc1c2c(cccc2)c(cc1)C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C18H11FO3/c19-16-10-9-14(11-5-1-2-6-12(11)16)17(20)13-7-3-4-8-15(13)18(21)22/h1-10H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8924 kcal/mol

Physical Properties
Molecular Weight: 294.281 g/mol	logS: -5.59995	SlogP: 3.9081	Reactive groups: 0

Topological Properties
Globularity: 0.176429	Sterimol/B1: 2.48401	Sterimol/B2: 4.27261	Sterimol/B3: 4.85469
Sterimol/B4: 6.62167	Sterimol/L: 14.3335

Surface and Volume Properties
Accessible surface: 482.902	Positive charged surface: 242.587	Negative charged surface: 231.734	Volume: 265.25
Hydrophobic surface: 388.255	Hydrophilic surface: 94.647

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02277276
NCID-ZINC01632843