MMsINC Database Search


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MMsINC code: MMs00698882

Type: Neutral
Formula: C₁₉H₂₆NO₅P

SMILES:

P(OCC)(OCC)(=O)C(Nc1ccccc1)c1cc(OC)ccc1OC

InChI:

InChI=1/C19H26NO5P/c1-5-24-26(21,25-6-2)19(20-15-10-8-7-9-11-15)17-14-16(22-3)12-13-18(17)23-4/h7-14,19-20H,5-6H2,1-4H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.592 kcal/mol

Physical Properties
Molecular Weight: 379.393 g/mol	logS: -3.60599	SlogP: 4.1059	Reactive groups: 0

Topological Properties
Globularity: 0.279807	Sterimol/B1: 2.48933	Sterimol/B2: 4.84747	Sterimol/B3: 5.0849
Sterimol/B4: 11.2498	Sterimol/L: 13.9488

Surface and Volume Properties
Accessible surface: 657.251	Positive charged surface: 473.958	Negative charged surface: 183.294	Volume: 365.875
Hydrophobic surface: 577.264	Hydrophilic surface: 79.987

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.