MMsINC Database Search


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MMsINC code: MMs02819237

Type: Neutral
Formula: C₁₅H₂₄NO₅P

SMILES:

P(OCC)(OCC)(=O)CCc1cnc(C)c(OC(=O)C)c1C

InChI:

InChI=1/C15H24NO5P/c1-6-19-22(18,20-7-2)9-8-14-10-16-12(4)15(11(14)3)21-13(5)17/h10H,6-9H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7527 kcal/mol

Physical Properties
Molecular Weight: 329.333 g/mol	logS: -1.66441	SlogP: 2.36211	Reactive groups: 0

Topological Properties
Globularity: 0.0651436	Sterimol/B1: 2.21946	Sterimol/B2: 3.92492	Sterimol/B3: 3.96472
Sterimol/B4: 8.0209	Sterimol/L: 15.9091

Surface and Volume Properties
Accessible surface: 615.277	Positive charged surface: 415.656	Negative charged surface: 199.621	Volume: 316.75
Hydrophobic surface: 492.263	Hydrophilic surface: 123.014

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.