MMsINC Database Search


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MMsINC code: MMs02415489

Type: Neutral
Formula: C₁₈H₁₅O₅P

SMILES:

P(Oc1c2c3c4c(cccc4ccc3ccc2)c1O)(OC)(OC)=O

InChI:

InChI=1/C18H15O5P/c1-21-24(20,22-2)23-18-14-8-4-6-12-10-9-11-5-3-7-13(17(18)19)15(11)16(12)14/h3-10,19H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.066 kcal/mol

Physical Properties
Molecular Weight: 342.287 g/mol	logS: -6.29121	SlogP: 3.9991	Reactive groups: 0

Topological Properties
Globularity: 0.100787	Sterimol/B1: 2.47571	Sterimol/B2: 5.429	Sterimol/B3: 5.57238
Sterimol/B4: 6.16528	Sterimol/L: 14.5182

Surface and Volume Properties
Accessible surface: 539.278	Positive charged surface: 336.856	Negative charged surface: 172.224	Volume: 301.375
Hydrophobic surface: 469.162	Hydrophilic surface: 70.116

Pharmacophoric Properties
Hydrogen bond donors: 1	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.