MMsINC Database Search


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MMsINC code: MMs03017015

Type: Neutral
Formula: C₁₁H₁₇O₄P

SMILES:

P(OC(CC)COc1ccccc1)(O)(=O)C

InChI:

InChI=1/C11H17O4P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,12,13)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.6796 kcal/mol

Physical Properties
Molecular Weight: 244.227 g/mol	logS: -1.6399	SlogP: 1.6056	Reactive groups: 0

Topological Properties
Globularity: 0.146322	Sterimol/B1: 2.43495	Sterimol/B2: 3.59271	Sterimol/B3: 3.71914
Sterimol/B4: 6.88654	Sterimol/L: 13.531

Surface and Volume Properties
Accessible surface: 481.212	Positive charged surface: 296.523	Negative charged surface: 184.689	Volume: 230.75
Hydrophobic surface: 365.438	Hydrophilic surface: 115.774

Pharmacophoric Properties
Hydrogen bond donors: 2	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.