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ENAMINE-ZINC02533932

MMsINC code: MMs01251670

Type: Neutral
Formula: C₈H₁₁FN+

SMILES:

Fc1ccccc1C[NH2+]C

InChI:

InChI=1/C8H10FN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.1345 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 140.181 g/mol	logS: -1.39597	SlogP: 0.7853	Reactive groups: 0

Topological Properties
Globularity: 0.0516115	Sterimol/B1: 2.53094	Sterimol/B2: 3.13016	Sterimol/B3: 3.83113
Sterimol/B4: 3.87344	Sterimol/L: 11.1103

Surface and Volume Properties
Accessible surface: 332.115	Positive charged surface: 237.213	Negative charged surface: 94.9011	Volume: 144.625
Hydrophobic surface: 275.424	Hydrophilic surface: 56.691

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

MMs01251671
ENAMINE-ZINC02533932