MMsINC Database Search


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MMsINC code: MMs00622766

Type: Neutral
Formula: C₁₇H₁₈FNO₂

SMILES:

Fc1ccccc1OC(C(=O)Nc1c(cccc1C)C)C

InChI:

InChI=1/C17H18FNO2/c1-11-7-6-8-12(2)16(11)19-17(20)13(3)21-15-10-5-4-9-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.886 kcal/mol

Physical Properties
Molecular Weight: 287.334 g/mol	logS: -4.37482	SlogP: 3.84854	Reactive groups: 0

Topological Properties
Globularity: 0.0523016	Sterimol/B1: 2.27251	Sterimol/B2: 2.65653	Sterimol/B3: 4.29507
Sterimol/B4: 6.70229	Sterimol/L: 16.1699

Surface and Volume Properties
Accessible surface: 521.012	Positive charged surface: 289.061	Negative charged surface: 231.951	Volume: 281.75
Hydrophobic surface: 474.045	Hydrophilic surface: 46.967

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