MMsINC Database Search


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MMsINC code: MMs00452853

Type: Neutral
Formula: C₁₅H₂₆NO₄P

SMILES:

P(OC(C)(C)C)(OC(C)(C)C)(=O)CNc1ccccc1O

InChI:

InChI=1/C15H26NO4P/c1-14(2,3)19-21(18,20-15(4,5)6)11-16-12-9-7-8-10-13(12)17/h7-10,16-17H,11H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.911 kcal/mol

Physical Properties
Molecular Weight: 315.35 g/mol	logS: -2.50899	SlogP: 3.5147	Reactive groups: 0

Topological Properties
Globularity: 0.195032	Sterimol/B1: 2.53099	Sterimol/B2: 3.19497	Sterimol/B3: 5.25372
Sterimol/B4: 6.96953	Sterimol/L: 14.3342

Surface and Volume Properties
Accessible surface: 517.587	Positive charged surface: 352.409	Negative charged surface: 165.178	Volume: 308.875
Hydrophobic surface: 358.541	Hydrophilic surface: 159.046

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.