MMsINC Database Search


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MMsINC code: MMs02321968

Type: Neutral
Formula: C₁₄H₁₁O₅P

SMILES:

P(Oc1c2c(c3c(cccc3)c1O)cccc2)(O)(O)=O

InChI:

InChI=1/C14H11O5P/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)19-20(16,17)18/h1-8,15H,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.2617 kcal/mol

Physical Properties
Molecular Weight: 290.211 g/mol	logS: -4.27147	SlogP: 2.0999	Reactive groups: 0

Topological Properties
Globularity: 0.0493548	Sterimol/B1: 2.73368	Sterimol/B2: 3.22805	Sterimol/B3: 4.5621
Sterimol/B4: 6.12163	Sterimol/L: 12.7856

Surface and Volume Properties
Accessible surface: 460.408	Positive charged surface: 216.563	Negative charged surface: 223.375	Volume: 243.25
Hydrophobic surface: 293.005	Hydrophilic surface: 167.403

Pharmacophoric Properties
Hydrogen bond donors: 4	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.