MMsINC Database Search


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MMsINC code: MMs01265509

Type: Neutral
Formula: C₁₄H₁₈FNO

SMILES:

Fc1ccc(cc1)C(=O)NC1CCCCC1C

InChI:

InChI=1/C14H18FNO/c1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-,13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.3232 kcal/mol

Physical Properties
Molecular Weight: 235.302 g/mol	logS: -3.4989	SlogP: 3.1342	Reactive groups: 0

Topological Properties
Globularity: 0.084214	Sterimol/B1: 2.37459	Sterimol/B2: 2.52685	Sterimol/B3: 4.10657
Sterimol/B4: 6.11216	Sterimol/L: 14.5673

Surface and Volume Properties
Accessible surface: 455.395	Positive charged surface: 284.496	Negative charged surface: 170.899	Volume: 236.875
Hydrophobic surface: 404.054	Hydrophilic surface: 51.341

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.