MMsINC Database Search


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MMsINC code: MMs02254081

Type: Neutral
Formula: C₁₆H₁₉O₆P

SMILES:

P(OCCOc1ccccc1)(OCCOc1ccccc1)(O)=O

InChI:

InChI=1/C16H19O6P/c17-23(18,21-13-11-19-15-7-3-1-4-8-15)22-14-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.4194 kcal/mol

Physical Properties
Molecular Weight: 338.296 g/mol	logS: -3.2102	SlogP: 2.2078	Reactive groups: 0

Topological Properties
Globularity: 0.0801294	Sterimol/B1: 2.32711	Sterimol/B2: 3.67487	Sterimol/B3: 4.19396
Sterimol/B4: 8.29815	Sterimol/L: 16.8933

Surface and Volume Properties
Accessible surface: 637.975	Positive charged surface: 385.623	Negative charged surface: 252.352	Volume: 307.75
Hydrophobic surface: 535.11	Hydrophilic surface: 102.865

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs02254082
NCID-ZINC01601006