MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02665504

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(C)c1ccc(cc1)CC

InChI:

InChI=1/C17H18FNO/c1-3-13-4-6-14(7-5-13)12(2)19-17(20)15-8-10-16(18)11-9-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.4018 kcal/mol

Physical Properties
Molecular Weight: 271.335 g/mol	logS: -4.91024	SlogP: 3.97457	Reactive groups: 0

Topological Properties
Globularity: 0.0526771	Sterimol/B1: 3.30145	Sterimol/B2: 3.65934	Sterimol/B3: 3.74979
Sterimol/B4: 5.41667	Sterimol/L: 16.6766

Surface and Volume Properties
Accessible surface: 523.129	Positive charged surface: 292.872	Negative charged surface: 230.257	Volume: 273.625
Hydrophobic surface: 448.477	Hydrophilic surface: 74.652

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.