MMsINC Database Search


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MMsINC code: MMs01749773

Type: Neutral
Formula: C₁₇H₁₈FNO₂

SMILES:

Fc1ccccc1C(=O)NC1CC(Cc2occc12)(C)C

InChI:

InChI=1/C17H18FNO2/c1-17(2)9-14(12-7-8-21-15(12)10-17)19-16(20)11-5-3-4-6-13(11)18/h3-8,14H,9-10H2,1-2H3,(H,19,20)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.978 kcal/mol

Physical Properties
Molecular Weight: 287.334 g/mol	logS: -4.96331	SlogP: 3.95767	Reactive groups: 0

Topological Properties
Globularity: 0.106006	Sterimol/B1: 2.26959	Sterimol/B2: 3.28611	Sterimol/B3: 3.86242
Sterimol/B4: 7.72267	Sterimol/L: 14.7479

Surface and Volume Properties
Accessible surface: 502.329	Positive charged surface: 284.8	Negative charged surface: 217.529	Volume: 275.375
Hydrophobic surface: 428.537	Hydrophilic surface: 73.792

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.