MMsINC Database Search


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MMsINC code: MMs02983338

Type: Neutral
Formula: C₁₉H₂₆NO₃P

SMILES:

P(OCC)(OCC)(=O)C(Nc1ccc(cc1)CC)c1ccccc1

InChI:

InChI=1/C19H26NO3P/c1-4-16-12-14-18(15-13-16)20-19(17-10-8-7-9-11-17)24(21,22-5-2)23-6-3/h7-15,19-20H,4-6H2,1-3H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1712 kcal/mol

Physical Properties
Molecular Weight: 347.395 g/mol	logS: -4.49437	SlogP: 4.65107	Reactive groups: 0

Topological Properties
Globularity: 0.129111	Sterimol/B1: 3.37336	Sterimol/B2: 4.11737	Sterimol/B3: 5.92284
Sterimol/B4: 6.35252	Sterimol/L: 15.2262

Surface and Volume Properties
Accessible surface: 645.601	Positive charged surface: 423.757	Negative charged surface: 221.844	Volume: 351.375
Hydrophobic surface: 550.306	Hydrophilic surface: 95.295

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.