MMsINC Database Search


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

MMsINC code: MMs00635916

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(C(C)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4568 kcal/mol

Physical Properties
Molecular Weight: 271.335 g/mol	logS: -4.32464	SlogP: 4.0483	Reactive groups: 0

Topological Properties
Globularity: 0.139707	Sterimol/B1: 2.23624	Sterimol/B2: 3.95184	Sterimol/B3: 5.5512
Sterimol/B4: 5.60546	Sterimol/L: 14.2636

Surface and Volume Properties
Accessible surface: 495.461	Positive charged surface: 270.778	Negative charged surface: 224.683	Volume: 270.625
Hydrophobic surface: 439.463	Hydrophilic surface: 55.998

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.