MMsINC Database Search


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MMsINC code: MMs02302346

Type: Neutral
Formula: C₁₉H₂₃FNO+

SMILES:

Fc1ccc(cc1)C(=O)C[n+]1ccccc1CCCCCC

InChI:

InChI=1/C19H23FNO/c1-2-3-4-5-8-18-9-6-7-14-21(18)15-19(22)16-10-12-17(20)13-11-16/h6-7,9-14H,2-5,8,15H2,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2406 kcal/mol

Physical Properties
Molecular Weight: 300.397 g/mol	logS: -4.96663	SlogP: 4.38527	Reactive groups: 0

Topological Properties
Globularity: 0.103424	Sterimol/B1: 2.84442	Sterimol/B2: 3.93254	Sterimol/B3: 4.72873
Sterimol/B4: 9.11487	Sterimol/L: 14.3312

Surface and Volume Properties
Accessible surface: 586.328	Positive charged surface: 372.709	Negative charged surface: 213.619	Volume: 311
Hydrophobic surface: 522.173	Hydrophilic surface: 64.155

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.