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ENAMINE-ZINC04218838

MMsINC code: MMs01535882

Type: Neutral
Formula: C₁₀H₁₄FNO

SMILES:

Fc1ccc(OCCCCN)cc1

InChI:

InChI=1/C10H14FNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.7784 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 183.226 g/mol	logS: -1.82514	SlogP: 1.9434	Reactive groups: 0

Topological Properties
Globularity: 0.0205434	Sterimol/B1: 2.31627	Sterimol/B2: 2.52173	Sterimol/B3: 2.54915
Sterimol/B4: 5.27945	Sterimol/L: 14.8026

Surface and Volume Properties
Accessible surface: 411.777	Positive charged surface: 277.038	Negative charged surface: 134.739	Volume: 184.375
Hydrophobic surface: 338.668	Hydrophilic surface: 73.109

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules

MMs01535883
ENAMINE-ZINC04218838