MMsINC Database Search


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MMsINC code: MMs03003444

Type: Neutral
Formula: C₁₂H₁₉O₂P

SMILES:

P(=O)(Cc1ccccc1OC)(CC)CC

InChI:

InChI=1/C12H19O2P/c1-4-15(13,5-2)10-11-8-6-7-9-12(11)14-3/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)=41.6564 kcal/mol

Physical Properties
Molecular Weight: 226.256 g/mol	logS: -1.57496	SlogP: 2.7943	Reactive groups: 0

Topological Properties
Globularity: 0.114885	Sterimol/B1: 2.84191	Sterimol/B2: 3.27415	Sterimol/B3: 3.39574
Sterimol/B4: 6.87229	Sterimol/L: 12.7855

Surface and Volume Properties
Accessible surface: 435.647	Positive charged surface: 292.317	Negative charged surface: 143.331	Volume: 235
Hydrophobic surface: 376.78	Hydrophilic surface: 58.867

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.