MMsINC Database Search


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MMsINC code: MMs01843193

Type: Neutral
Formula: C₂₃H₂₇N₂O₂P

SMILES:

P(OCC)(=O)(C(Nc1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H27N2O2P/c1-4-27-28(26,22-17-15-21(16-18-22)25(2)3)23(19-11-7-5-8-12-19)24-20-13-9-6-10-14-20/h5-18,23-24H,4H2,1-3H3/t23-,28+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.835 kcal/mol

Physical Properties
Molecular Weight: 394.455 g/mol	logS: -4.67473	SlogP: 4.5287	Reactive groups: 0

Topological Properties
Globularity: 0.123522	Sterimol/B1: 2.05318	Sterimol/B2: 2.63766	Sterimol/B3: 5.97957
Sterimol/B4: 10.2777	Sterimol/L: 16.9744

Surface and Volume Properties
Accessible surface: 661.954	Positive charged surface: 446.915	Negative charged surface: 215.039	Volume: 394.875
Hydrophobic surface: 615.663	Hydrophilic surface: 46.291

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.