MMsINC Database Search


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MMsINC code: MMs00055120

Type: Neutral
Formula: C₁₄H₁₉O₄P

SMILES:

P(OCC)(OCC)(=O)Cc1c2cc(ccc2oc1)C

InChI:

InChI=1/C14H19O4P/c1-4-17-19(15,18-5-2)10-12-9-16-14-7-6-11(3)8-13(12)14/h6-9H,4-5,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6822 kcal/mol

Physical Properties
Molecular Weight: 282.276 g/mol	logS: -3.95295	SlogP: 3.70352	Reactive groups: 0

Topological Properties
Globularity: 0.101637	Sterimol/B1: 2.13993	Sterimol/B2: 2.50692	Sterimol/B3: 4.98895
Sterimol/B4: 8.03789	Sterimol/L: 13.8811

Surface and Volume Properties
Accessible surface: 537.681	Positive charged surface: 351.456	Negative charged surface: 182.501	Volume: 270.25
Hydrophobic surface: 450.274	Hydrophilic surface: 87.407

Pharmacophoric Properties
Hydrogen bond donors: 0	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.