MMsINC Database Search


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MMsINC code: MMs02650202

Type: Neutral
Formula: C₁₄H₂₀FN

SMILES:

Fc1ccc(cc1)CN1CCCCCCC1

InChI:

InChI=1/C14H20FN/c15-14-8-6-13(7-9-14)12-16-10-4-2-1-3-5-11-16/h6-9H,1-5,10-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2224 kcal/mol

Physical Properties
Molecular Weight: 221.319 g/mol	logS: -3.02245	SlogP: 3.8582	Reactive groups: 0

Topological Properties
Globularity: 0.263116	Sterimol/B1: 3.2226	Sterimol/B2: 3.43887	Sterimol/B3: 4.60416
Sterimol/B4: 5.04131	Sterimol/L: 11.9783

Surface and Volume Properties
Accessible surface: 429.84	Positive charged surface: 296.429	Negative charged surface: 133.411	Volume: 233.5
Hydrophobic surface: 423.81	Hydrophilic surface: 6.03

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules

MMs02650203
PUBCHEM-ZINC00282660