MMsINC Database Search


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MMsINC code: MMs03072956

Type: Neutral
Formula: C₁₈H₁₆FNO₂

SMILES:

Fc1cc(ccc1)-c1[nH]c2c(cc(cc2)CC)c1CC(O)=O

InChI:

InChI=1/C18H16FNO2/c1-2-11-6-7-16-14(8-11)15(10-17(21)22)18(20-16)12-4-3-5-13(19)9-12/h3-9,20H,2,10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6696 kcal/mol

Physical Properties
Molecular Weight: 297.329 g/mol	logS: -5.38495	SlogP: 4.16344	Reactive groups: 0

Topological Properties
Globularity: 0.0738817	Sterimol/B1: 2.77895	Sterimol/B2: 4.13954	Sterimol/B3: 4.9568
Sterimol/B4: 5.52068	Sterimol/L: 15.7592

Surface and Volume Properties
Accessible surface: 536.795	Positive charged surface: 301.741	Negative charged surface: 230.682	Volume: 282.625
Hydrophobic surface: 403.681	Hydrophilic surface: 133.114

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03072957
PUBCHEM-ZINC03759820