MMsINC Database Search


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MMsINC code: MMs02277306

Type: Ionized
Formula: C₁₉H₁₄FO₂-

SMILES:

Fc1cccc(C(=O)[O-])c1C(C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H15FO2/c1-12(18-16(19(21)22)10-5-11-17(18)20)14-9-4-7-13-6-2-3-8-15(13)14/h2-12H,1H3,(H,21,22)/p-1/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2896 kcal/mol

Physical Properties
Molecular Weight: 293.317 g/mol	logS: -6.10574	SlogP: 3.4942	Reactive groups: 0

Topological Properties
Globularity: 0.268486	Sterimol/B1: 2.68027	Sterimol/B2: 2.81802	Sterimol/B3: 6.32642
Sterimol/B4: 7.16514	Sterimol/L: 11.9631

Surface and Volume Properties
Accessible surface: 495.121	Positive charged surface: 235.833	Negative charged surface: 250.049	Volume: 281.625
Hydrophobic surface: 413.857	Hydrophilic surface: 81.264

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02277305
NCID-ZINC01632870