MMsINC Database Search


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

MMsINC code: MMs01343855

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1ccc(cc1)CCNc1ccccc1C(O)=O

InChI:

InChI=1/C15H14FNO2/c16-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7198 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.27509	SlogP: 3.17847	Reactive groups: 0

Topological Properties
Globularity: 0.0637967	Sterimol/B1: 3.09643	Sterimol/B2: 3.60973	Sterimol/B3: 3.74607
Sterimol/B4: 6.47178	Sterimol/L: 15.0429

Surface and Volume Properties
Accessible surface: 491.899	Positive charged surface: 273.191	Negative charged surface: 218.707	Volume: 245.375
Hydrophobic surface: 396.15	Hydrophilic surface: 95.749

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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

MMs01343856
ENAMINE-ZINC03273264