MMsINC Database Search


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MMsINC code: MMs00755958

Type: Neutral
Formula: C₁₉H₂₆NO₄P

SMILES:

P(OC(C)C)(OC(C)C)(=O)C(Nc1ccccc1)c1ccccc1O

InChI:

InChI=1/C19H26NO4P/c1-14(2)23-25(22,24-15(3)4)19(17-12-8-9-13-18(17)21)20-16-10-6-5-7-11-16/h5-15,19-21H,1-4H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.835 kcal/mol

Physical Properties
Molecular Weight: 363.394 g/mol	logS: -3.7977	SlogP: 4.5713	Reactive groups: 0

Topological Properties
Globularity: 0.406812	Sterimol/B1: 3.9762	Sterimol/B2: 5.36899	Sterimol/B3: 6.05686
Sterimol/B4: 6.78795	Sterimol/L: 14.3087

Surface and Volume Properties
Accessible surface: 626.688	Positive charged surface: 373.071	Negative charged surface: 253.617	Volume: 357.875
Hydrophobic surface: 503.164	Hydrophilic surface: 123.524

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.