MMsINC Database Search


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MMsINC code: MMs00603984

Type: Neutral
Formula: C₁₇H₂₇O₃P

SMILES:

P(=O)(C(C)(C)C)(C(C)(C)C)c1ccc(cc1)C(OCC)=O

InChI:

InChI=1/C17H27O3P/c1-8-20-15(18)13-9-11-14(12-10-13)21(19,16(2,3)4)17(5,6)7/h9-12H,8H2,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6243 kcal/mol

Physical Properties
Molecular Weight: 310.374 g/mol	logS: -3.59832	SlogP: 3.3785	Reactive groups: 0

Topological Properties
Globularity: 0.139871	Sterimol/B1: 2.16162	Sterimol/B2: 5.0239	Sterimol/B3: 5.16577
Sterimol/B4: 5.96062	Sterimol/L: 15.5328

Surface and Volume Properties
Accessible surface: 552.02	Positive charged surface: 357.92	Negative charged surface: 194.1	Volume: 318.625
Hydrophobic surface: 384.988	Hydrophilic surface: 167.032

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.