MMsINC Database Search


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MMsINC code: MMs01363577

Type: Neutral
Formula: C₁₇H₂₁O₅P

SMILES:

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

InChI:

InChI=1/C17H21O5P/c1-23(18,21-14-12-19-16-8-4-2-5-9-16)22-15-13-20-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6111 kcal/mol

Physical Properties
Molecular Weight: 336.324 g/mol	logS: -3.30082	SlogP: 2.9303	Reactive groups: 0

Topological Properties
Globularity: 0.0602682	Sterimol/B1: 2.23964	Sterimol/B2: 2.26234	Sterimol/B3: 5.48734
Sterimol/B4: 8.41273	Sterimol/L: 19.0262

Surface and Volume Properties
Accessible surface: 651.158	Positive charged surface: 401.04	Negative charged surface: 250.118	Volume: 319.25
Hydrophobic surface: 578.578	Hydrophilic surface: 72.58

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.