MMsINC Database Search


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MMsINC code: MMs01829558

Type: Neutral
Formula: C₁₆H₂₀NO₄P

SMILES:

P(OC)(OC)(=O)C(Nc1ccc(OC)cc1)c1ccccc1

InChI:

InChI=1/C16H20NO4P/c1-19-15-11-9-14(10-12-15)17-16(22(18,20-2)21-3)13-7-5-4-6-8-13/h4-12,16-17H,1-3H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.925 kcal/mol

Physical Properties
Molecular Weight: 321.313 g/mol	logS: -2.90119	SlogP: 3.3171	Reactive groups: 0

Topological Properties
Globularity: 0.117944	Sterimol/B1: 3.59626	Sterimol/B2: 3.70232	Sterimol/B3: 5.15041
Sterimol/B4: 6.25291	Sterimol/L: 15.0258

Surface and Volume Properties
Accessible surface: 571.148	Positive charged surface: 405.577	Negative charged surface: 165.571	Volume: 305.25
Hydrophobic surface: 533.148	Hydrophilic surface: 38

Pharmacophoric Properties
Hydrogen bond donors: 1	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.