MMsINC Database Search


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MMsINC code: MMs00706107

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9736 kcal/mol

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

Topological Properties
Globularity: 0.178141	Sterimol/B1: 2.37706	Sterimol/B2: 3.81164	Sterimol/B3: 4.95037
Sterimol/B4: 6.46706	Sterimol/L: 13.3519

Surface and Volume Properties
Accessible surface: 507.543	Positive charged surface: 342.662	Negative charged surface: 164.881	Volume: 262.125
Hydrophobic surface: 359.506	Hydrophilic surface: 148.037

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.