MMsINC Database Search


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MMsINC code: MMs01086197

Type: Neutral
Formula: C₁₉H₂₄NO₄P

SMILES:

P1(OCC(CO1)(C)C)(=O)C(Nc1ccc(O)cc1)c1ccc(cc1)C

InChI:

InChI=1/C19H24NO4P/c1-14-4-6-15(7-5-14)18(20-16-8-10-17(21)11-9-16)25(22)23-12-19(2,3)13-24-25/h4-11,18,20-21H,12-13H2,1-3H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.659 kcal/mol

Physical Properties
Molecular Weight: 361.378 g/mol	logS: -3.71693	SlogP: 4.10272	Reactive groups: 0

Topological Properties
Globularity: 0.14716	Sterimol/B1: 3.33484	Sterimol/B2: 4.36387	Sterimol/B3: 4.6891
Sterimol/B4: 8.63423	Sterimol/L: 14.5792

Surface and Volume Properties
Accessible surface: 614.085	Positive charged surface: 387.578	Negative charged surface: 226.507	Volume: 344.5
Hydrophobic surface: 492.804	Hydrophilic surface: 121.281

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.