MMsINC Database Search


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MMsINC code: MMs03211753

Type: Neutral
Formula: C₁₄H₁₅FNO₃P

SMILES:

P(OCC)(=O)(C(O)c1cccnc1)c1ccc(F)cc1

InChI:

InChI=1/C14H15FNO3P/c1-2-19-20(18,13-7-5-12(15)6-8-13)14(17)11-4-3-9-16-10-11/h3-10,14,17H,2H2,1H3/t14-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1333 kcal/mol

Physical Properties
Molecular Weight: 295.25 g/mol	logS: -1.99082	SlogP: 1.877	Reactive groups: 0

Topological Properties
Globularity: 0.114221	Sterimol/B1: 2.2698	Sterimol/B2: 3.13455	Sterimol/B3: 3.90689
Sterimol/B4: 8.11722	Sterimol/L: 14.8758

Surface and Volume Properties
Accessible surface: 499.301	Positive charged surface: 302.4	Negative charged surface: 196.901	Volume: 265.75
Hydrophobic surface: 410.617	Hydrophilic surface: 88.684

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.