MMsINC Database Search


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MMsINC code: MMs00655732

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1ccccc1C(=O)NC(Cc1ccccc1)CC

InChI:

InChI=1/C17H18FNO/c1-2-14(12-13-8-4-3-5-9-13)19-17(20)15-10-6-7-11-16(15)18/h3-11,14H,2,12H2,1H3,(H,19,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1037 kcal/mol

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

Topological Properties
Globularity: 0.163531	Sterimol/B1: 2.5048	Sterimol/B2: 3.62248	Sterimol/B3: 3.70334
Sterimol/B4: 9.01076	Sterimol/L: 12.9393

Surface and Volume Properties
Accessible surface: 509.664	Positive charged surface: 292.507	Negative charged surface: 217.156	Volume: 273.625
Hydrophobic surface: 471.872	Hydrophilic surface: 37.792

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.