MMsINC Database Search


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MMsINC code: MMs01734424

Type: Neutral
Formula: C₁₇H₁₆FNO

SMILES:

Fc1ccccc1C(=O)N1CC(CC1)c1ccccc1

InChI:

InChI=1/C17H16FNO/c18-16-9-5-4-8-15(16)17(20)19-11-10-14(12-19)13-6-2-1-3-7-13/h1-9,14H,10-12H2/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2305 kcal/mol

Physical Properties
Molecular Weight: 269.319 g/mol	logS: -3.77454	SlogP: 3.4554	Reactive groups: 0

Topological Properties
Globularity: 0.0617688	Sterimol/B1: 3.18159	Sterimol/B2: 3.64922	Sterimol/B3: 4.11546
Sterimol/B4: 4.43427	Sterimol/L: 16.194

Surface and Volume Properties
Accessible surface: 497.303	Positive charged surface: 290.189	Negative charged surface: 207.114	Volume: 264.25
Hydrophobic surface: 463.583	Hydrophilic surface: 33.72

Pharmacophoric Properties
Hydrogen bond donors: 0	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.