MMsINC Database Search


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MMsINC code: MMs01625968

Type: Neutral
Formula: C₂₀H₂₅O₈P

SMILES:

P1(Oc2c(OCCOCCOCCOc3c(O1)cccc3)cccc2)(OCC)=O

InChI:

InChI=1/C20H25O8P/c1-2-26-29(21)27-19-9-5-3-7-17(19)24-15-13-22-11-12-23-14-16-25-18-8-4-6-10-20(18)28-29/h3-10H,2,11-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.751 kcal/mol

Physical Properties
Molecular Weight: 424.386 g/mol	logS: -4.13219	SlogP: 3.0232	Reactive groups: 0

Topological Properties
Globularity: 0.0585147	Sterimol/B1: 2.82598	Sterimol/B2: 3.37835	Sterimol/B3: 6.98746
Sterimol/B4: 7.26419	Sterimol/L: 14.5325

Surface and Volume Properties
Accessible surface: 632.674	Positive charged surface: 439.353	Negative charged surface: 193.321	Volume: 382
Hydrophobic surface: 558.565	Hydrophilic surface: 74.109

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 8	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.