MMsINC Database Search


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MMsINC code: MMs02277277

Type: Neutral
Formula: C₁₈H₁₁FO₃

SMILES:

Fc1cccc(C(=O)c2cc3c(cc2)cccc3)c1C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.515 kcal/mol

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

Topological Properties
Globularity: 0.136864	Sterimol/B1: 3.06758	Sterimol/B2: 3.49362	Sterimol/B3: 4.5415
Sterimol/B4: 5.30258	Sterimol/L: 14.6194

Surface and Volume Properties
Accessible surface: 498.931	Positive charged surface: 233.544	Negative charged surface: 254.572	Volume: 264.5
Hydrophobic surface: 393.772	Hydrophilic surface: 105.159

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

MMs02277278
NCID-ZINC01632844