MMsINC Database Search


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MMsINC code: MMs02881649

Type: Neutral
Formula: C₁₉H₂₄FNO₂

SMILES:

Fc1ccc(cc1)COc1ccccc1CNCCCOCC

InChI:

InChI=1/C19H24FNO2/c1-2-22-13-5-12-21-14-17-6-3-4-7-19(17)23-15-16-8-10-18(20)11-9-16/h3-4,6-11,21H,2,5,12-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6767 kcal/mol

Physical Properties
Molecular Weight: 317.404 g/mol	logS: -3.91026	SlogP: 4.4537	Reactive groups: 0

Topological Properties
Globularity: 0.076842	Sterimol/B1: 2.51169	Sterimol/B2: 4.58027	Sterimol/B3: 7.05073
Sterimol/B4: 7.10727	Sterimol/L: 16.2859

Surface and Volume Properties
Accessible surface: 634.985	Positive charged surface: 433.716	Negative charged surface: 201.269	Volume: 326
Hydrophobic surface: 581.862	Hydrophilic surface: 53.123

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02881650
PUBCHEM-ZINC02178115