MMsINC Database Search


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MMsINC code: MMs02992943

Type: Neutral
Formula: C₁₄H₂₁O₃P

SMILES:

P(=O)(C(C)C)(C(C)C)C(OCc1ccccc1)=O

InChI:

InChI=1/C14H21O3P/c1-11(2)18(16,12(3)4)14(15)17-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0117 kcal/mol

Physical Properties
Molecular Weight: 268.293 g/mol	logS: -2.64313	SlogP: 3.6993	Reactive groups: 0

Topological Properties
Globularity: 0.0964872	Sterimol/B1: 3.19017	Sterimol/B2: 3.98265	Sterimol/B3: 4.1626
Sterimol/B4: 4.78662	Sterimol/L: 15.1158

Surface and Volume Properties
Accessible surface: 506.908	Positive charged surface: 306.004	Negative charged surface: 200.904	Volume: 273.375
Hydrophobic surface: 380.649	Hydrophilic surface: 126.259

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.