MMsINC Database Search


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MMsINC code: MMs00706106

Type: Neutral
Formula: C₁₂H₂₀NO₄P

SMILES:

P(OC(C)C)(OC(C)C)(=O)C(O)c1cccnc1

InChI:

InChI=1/C12H20NO4P/c1-9(2)16-18(15,17-10(3)4)12(14)11-6-5-7-13-8-11/h5-10,12,14H,1-4H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.459 kcal/mol

Physical Properties
Molecular Weight: 273.269 g/mol	logS: -1.10817	SlogP: 2.1409	Reactive groups: 0

Topological Properties
Globularity: 0.155552	Sterimol/B1: 2.36001	Sterimol/B2: 3.74624	Sterimol/B3: 4.65622
Sterimol/B4: 6.53601	Sterimol/L: 13.2916

Surface and Volume Properties
Accessible surface: 505.757	Positive charged surface: 345.904	Negative charged surface: 159.852	Volume: 264.125
Hydrophobic surface: 363.535	Hydrophilic surface: 142.222

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.