MMsINC Database Search


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MMsINC code: MMs01303837

Type: Neutral
Formula: C₁₉H₂₄NO₅P

SMILES:

P(OCC)(OCC)(=O)C(NC(=O)c1ccc(OC)cc1)c1ccccc1

InChI:

InChI=1/C19H24NO5P/c1-4-24-26(22,25-5-2)19(16-9-7-6-8-10-16)20-18(21)15-11-13-17(23-3)14-12-15/h6-14,19H,4-5H2,1-3H3,(H,20,21)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.4425 kcal/mol

Physical Properties
Molecular Weight: 377.377 g/mol	logS: -3.90528	SlogP: 3.4152	Reactive groups: 0

Topological Properties
Globularity: 0.0962801	Sterimol/B1: 2.37348	Sterimol/B2: 3.29529	Sterimol/B3: 4.57684
Sterimol/B4: 11.4651	Sterimol/L: 17.8054

Surface and Volume Properties
Accessible surface: 664.266	Positive charged surface: 432.274	Negative charged surface: 231.993	Volume: 360.375
Hydrophobic surface: 559.186	Hydrophilic surface: 105.08

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.