MMsINC Database Search


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MMsINC code: MMs01839848

Type: Neutral
Formula: C₂₀H₃₁O₅P

SMILES:

P(OC1CCCCC1)(OC1CCCCC1)(=O)C(O)c1ccccc1OC

InChI:

InChI=1/C20H31O5P/c1-23-19-15-9-8-14-18(19)20(21)26(22,24-16-10-4-2-5-11-16)25-17-12-6-3-7-13-17/h8-9,14-17,20-21H,2-7,10-13H2,1H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5919 kcal/mol

Physical Properties
Molecular Weight: 382.437 g/mol	logS: -4.05013	SlogP: 4.6031	Reactive groups: 0

Topological Properties
Globularity: 0.122347	Sterimol/B1: 2.19836	Sterimol/B2: 3.36326	Sterimol/B3: 5.42515
Sterimol/B4: 8.0114	Sterimol/L: 15.646

Surface and Volume Properties
Accessible surface: 632.986	Positive charged surface: 470.196	Negative charged surface: 162.789	Volume: 371.875
Hydrophobic surface: 569.609	Hydrophilic surface: 63.377

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: 0

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Ions/Tautomers related molecules: no related molecules available.