MMsINC Database Search


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MMsINC code: MMs01221647

Type: Neutral
Formula: C₁₆H₂₀NO₂P

SMILES:

P(OCc1ccccc1)(OCc1ccccc1)N(C)C

InChI:

InChI=1/C16H20NO2P/c1-17(2)20(18-13-15-9-5-3-6-10-15)19-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0825 kcal/mol

Physical Properties
Molecular Weight: 289.315 g/mol	logS: -3.06953	SlogP: 4.7413	Reactive groups: 1

Topological Properties
Globularity: 0.132769	Sterimol/B1: 2.35184	Sterimol/B2: 3.38066	Sterimol/B3: 4.37392
Sterimol/B4: 8.37863	Sterimol/L: 14.6875

Surface and Volume Properties
Accessible surface: 561.526	Positive charged surface: 369.173	Negative charged surface: 192.354	Volume: 292.625
Hydrophobic surface: 521.389	Hydrophilic surface: 40.137

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.