MMsINC Database Search


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MMsINC code: MMs02328094

Type: Neutral
Formula: C₂₀H₁₉FO

SMILES:

Fc1c2c(cccc2)c(cc1C)Cc1cccc(C)c1CO

InChI:

InChI=1/C20H19FO/c1-13-6-5-7-15(19(13)12-22)11-16-10-14(2)20(21)18-9-4-3-8-17(16)18/h3-10,22H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.139 kcal/mol

Physical Properties
Molecular Weight: 294.369 g/mol	logS: -6.07953	SlogP: 4.94521	Reactive groups: 0

Topological Properties
Globularity: 0.135932	Sterimol/B1: 2.41549	Sterimol/B2: 4.90742	Sterimol/B3: 5.14637
Sterimol/B4: 5.77298	Sterimol/L: 12.9962

Surface and Volume Properties
Accessible surface: 505.737	Positive charged surface: 290.363	Negative charged surface: 205.231	Volume: 295.5
Hydrophobic surface: 472.687	Hydrophilic surface: 33.05

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.