MMsINC Database Search


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MMsINC code: MMs01221690

Type: Neutral
Formula: C₁₁H₁₇O₄P

SMILES:

P(OCC)(OCC)(=O)c1cc(OC)ccc1

InChI:

InChI=1/C11H17O4P/c1-4-14-16(12,15-5-2)11-8-6-7-10(9-11)13-3/h6-9H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.855 kcal/mol

Physical Properties
Molecular Weight: 244.227 g/mol	logS: -2.14004	SlogP: 1.5164	Reactive groups: 0

Topological Properties
Globularity: 0.0529049	Sterimol/B1: 2.35914	Sterimol/B2: 3.08618	Sterimol/B3: 4.12576
Sterimol/B4: 7.9396	Sterimol/L: 14.0294

Surface and Volume Properties
Accessible surface: 492.598	Positive charged surface: 336.461	Negative charged surface: 156.137	Volume: 232.625
Hydrophobic surface: 399.696	Hydrophilic surface: 92.902

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

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.