MMsINC Database Search


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MMsINC code: MMs02344924

Type: Neutral
Formula: C₁₅H₂₄NO₅P

SMILES:

P(OCC)(OCC)(=O)N(C(Oc1cc(ccc1)C(C)C)=O)C

InChI:

InChI=1/C15H24NO5P/c1-6-19-22(18,20-7-2)16(5)15(17)21-14-10-8-9-13(11-14)12(3)4/h8-12H,6-7H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.17281 kcal/mol

Physical Properties
Molecular Weight: 329.333 g/mol	logS: -3.75781	SlogP: 3.3515	Reactive groups: 0

Topological Properties
Globularity: 0.102867	Sterimol/B1: 2.31541	Sterimol/B2: 3.56146	Sterimol/B3: 4.95172
Sterimol/B4: 9.42033	Sterimol/L: 15.1501

Surface and Volume Properties
Accessible surface: 610.602	Positive charged surface: 425.303	Negative charged surface: 185.298	Volume: 315.125
Hydrophobic surface: 472.037	Hydrophilic surface: 138.565

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.