MMsINC Database Search


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MMsINC code: MMs02998380

Type: Neutral
Formula: C₁₄H₂₃O₅P

SMILES:

P(OCC)(OCC)(=O)C(OCC)c1ccc(OC)cc1

InChI:

InChI=1/C14H23O5P/c1-5-17-14(20(15,18-6-2)19-7-3)12-8-10-13(16-4)11-9-12/h8-11,14H,5-7H2,1-4H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8768 kcal/mol

Physical Properties
Molecular Weight: 302.307 g/mol	logS: -2.43466	SlogP: 3.0217	Reactive groups: 0

Topological Properties
Globularity: 0.0751458	Sterimol/B1: 2.23425	Sterimol/B2: 3.21046	Sterimol/B3: 3.64404
Sterimol/B4: 10.4182	Sterimol/L: 15.8885

Surface and Volume Properties
Accessible surface: 563.475	Positive charged surface: 408.352	Negative charged surface: 155.124	Volume: 294.125
Hydrophobic surface: 456.464	Hydrophilic surface: 107.011

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.