MMsINC Database Search


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MMsINC code: MMs01523295

Type: Neutral
Formula: C₁₈H₁₈FNO

SMILES:

Fc1ccc(cc1)CC(=O)NC1CCCc2c1cccc2

InChI:

InChI=1/C18H18FNO/c19-15-10-8-13(9-11-15)12-18(21)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,20,21)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0812 kcal/mol

Physical Properties
Molecular Weight: 283.346 g/mol	logS: -4.55622	SlogP: 3.65744	Reactive groups: 0

Topological Properties
Globularity: 0.0563882	Sterimol/B1: 2.50277	Sterimol/B2: 3.15912	Sterimol/B3: 3.62583
Sterimol/B4: 7.52867	Sterimol/L: 14.9343

Surface and Volume Properties
Accessible surface: 522.84	Positive charged surface: 316.648	Negative charged surface: 206.192	Volume: 280.375
Hydrophobic surface: 490.599	Hydrophilic surface: 32.241

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.