MMsINC Database Search


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MMsINC code: MMs02252954

Type: Neutral
Formula: C₁₄H₁₃O₅P

SMILES:

P(OC(C(=O)c1ccccc1)c1ccccc1)(O)(O)=O

InChI:

InChI=1/C14H13O5P/c15-13(11-7-3-1-4-8-11)14(19-20(16,17)18)12-9-5-2-6-10-12/h1-10,14H,(H2,16,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-9.15244 kcal/mol

Physical Properties
Molecular Weight: 292.227 g/mol	logS: -3.04273	SlogP: 1.7452	Reactive groups: 0

Topological Properties
Globularity: 0.223144	Sterimol/B1: 2.54661	Sterimol/B2: 3.71207	Sterimol/B3: 3.89605
Sterimol/B4: 9.00594	Sterimol/L: 12.7337

Surface and Volume Properties
Accessible surface: 499.507	Positive charged surface: 243.911	Negative charged surface: 255.596	Volume: 254.875
Hydrophobic surface: 335.179	Hydrophilic surface: 164.328

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02252955
NCID-ZINC01599696