MMsINC Database Search


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MMsINC code: MMs03422179

Type: Neutral
Formula: C₁₆H₂₆NO₅P

SMILES:

P(Oc1ccccc1C(OC(C)C)=O)(OCC)(=O)NC(C)(C)C

InChI:

InChI=1/C16H26NO5P/c1-7-20-23(19,17-16(4,5)6)22-14-11-9-8-10-13(14)15(18)21-12(2)3/h8-12H,7H2,1-6H3,(H,17,19)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0673 kcal/mol

Physical Properties
Molecular Weight: 343.36 g/mol	logS: -3.35574	SlogP: 3.0931	Reactive groups: 0

Topological Properties
Globularity: 0.0734421	Sterimol/B1: 2.28966	Sterimol/B2: 3.51343	Sterimol/B3: 3.74734
Sterimol/B4: 10.3459	Sterimol/L: 14.5133

Surface and Volume Properties
Accessible surface: 587.56	Positive charged surface: 384.116	Negative charged surface: 203.444	Volume: 328.875
Hydrophobic surface: 424.395	Hydrophilic surface: 163.165

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.