MMsINC Database Search


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

MMsINC code: MMs03275775

Type: Neutral
Formula: C₁₁H₁₃F₂NO

SMILES:

Fc1cc(NC(=O)CCCC)ccc1F

InChI:

InChI=1/C11H13F2NO/c1-2-3-4-11(15)14-8-5-6-9(12)10(13)7-8/h5-7H,2-4H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0491 kcal/mol

Physical Properties
Molecular Weight: 213.227 g/mol	logS: -3.4165	SlogP: 3.0935	Reactive groups: 0

Topological Properties
Globularity: 0.028858	Sterimol/B1: 2.52	Sterimol/B2: 3.16542	Sterimol/B3: 3.41522
Sterimol/B4: 4.37754	Sterimol/L: 14.975

Surface and Volume Properties
Accessible surface: 433.803	Positive charged surface: 262.669	Negative charged surface: 171.133	Volume: 199.75
Hydrophobic surface: 367.873	Hydrophilic surface: 65.93

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

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.