MMsINC Database Search


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MMsINC code: MMs01798041

Type: Neutral
Formula: C₁₈H₂₃FNO₃P

SMILES:

P(OCC)(OCC)(=O)C(NCc1ccccc1)c1ccccc1F

InChI:

InChI=1/C18H23FNO3P/c1-3-22-24(21,23-4-2)18(16-12-8-9-13-17(16)19)20-14-15-10-6-5-7-11-15/h5-13,18,20H,3-4,14H2,1-2H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2785 kcal/mol

Physical Properties
Molecular Weight: 351.358 g/mol	logS: -3.74425	SlogP: 4.1719	Reactive groups: 0

Topological Properties
Globularity: 0.224294	Sterimol/B1: 2.72044	Sterimol/B2: 3.83274	Sterimol/B3: 5.98502
Sterimol/B4: 7.29532	Sterimol/L: 15.4308

Surface and Volume Properties
Accessible surface: 597.793	Positive charged surface: 371.449	Negative charged surface: 226.344	Volume: 335.875
Hydrophobic surface: 516.964	Hydrophilic surface: 80.829

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.