MMsINC Database Search


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MMsINC code: MMs00655946

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(Cc1ccccc1)CC

InChI:

InChI=1/C17H18FNO/c1-2-16(11-13-7-4-3-5-8-13)19-17(20)14-9-6-10-15(18)12-14/h3-10,12,16H,2,11H2,1H3,(H,19,20)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8969 kcal/mol

Physical Properties
Molecular Weight: 271.335 g/mol	logS: -4.18434	SlogP: 3.57677	Reactive groups: 0

Topological Properties
Globularity: 0.162934	Sterimol/B1: 2.50585	Sterimol/B2: 3.4073	Sterimol/B3: 3.8989
Sterimol/B4: 9.03705	Sterimol/L: 12.9587

Surface and Volume Properties
Accessible surface: 510.304	Positive charged surface: 288.299	Negative charged surface: 222.006	Volume: 272.125
Hydrophobic surface: 470.931	Hydrophilic surface: 39.373

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.