MMsINC Database Search


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MMsINC code: MMs02376076

Type: Neutral
Formula: C₁₄H₁₅O₄P

SMILES:

P(O)(O)(=O)c1cc(ccc1Oc1ccc(cc1)C)C

InChI:

InChI=1/C14H15O4P/c1-10-3-6-12(7-4-10)18-13-8-5-11(2)9-14(13)19(15,16)17/h3-9H,1-2H3,(H2,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.1711 kcal/mol

Physical Properties
Molecular Weight: 278.244 g/mol	logS: -3.47543	SlogP: 1.82854	Reactive groups: 0

Topological Properties
Globularity: 0.0735853	Sterimol/B1: 3.33375	Sterimol/B2: 3.82543	Sterimol/B3: 4.43056
Sterimol/B4: 6.24459	Sterimol/L: 13.9052

Surface and Volume Properties
Accessible surface: 499.997	Positive charged surface: 284.088	Negative charged surface: 215.909	Volume: 253.75
Hydrophobic surface: 370.243	Hydrophilic surface: 129.754

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.