MMsINC Database Search


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MMsINC code: MMs02277305

Type: Neutral
Formula: C₁₉H₁₅FO₂

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)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.263 kcal/mol

Physical Properties
Molecular Weight: 294.325 g/mol	logS: -5.84529	SlogP: 4.8289	Reactive groups: 0

Topological Properties
Globularity: 0.296439	Sterimol/B1: 2.07552	Sterimol/B2: 4.06312	Sterimol/B3: 5.36743
Sterimol/B4: 8.31725	Sterimol/L: 11.8127

Surface and Volume Properties
Accessible surface: 486.431	Positive charged surface: 260.155	Negative charged surface: 218.892	Volume: 274.875
Hydrophobic surface: 392.811	Hydrophilic surface: 93.62

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs02277306
NCID-ZINC01632870