MMsINC Database Search


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MMsINC code: MMs01830887

Type: Neutral
Formula: C₁₅H₁₈NO₄P

SMILES:

P(OC)(OC)(=O)C(Nc1ccccc1)c1ccccc1O

InChI:

InChI=1/C15H18NO4P/c1-19-21(18,20-2)15(13-10-6-7-11-14(13)17)16-12-8-4-3-5-9-12/h3-11,15-17H,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.067 kcal/mol

Physical Properties
Molecular Weight: 307.286 g/mol	logS: -2.48886	SlogP: 3.0141	Reactive groups: 0

Topological Properties
Globularity: 0.222777	Sterimol/B1: 2.10325	Sterimol/B2: 2.82545	Sterimol/B3: 4.98845
Sterimol/B4: 8.52077	Sterimol/L: 13.2881

Surface and Volume Properties
Accessible surface: 536.299	Positive charged surface: 351.371	Negative charged surface: 184.927	Volume: 287.75
Hydrophobic surface: 476.27	Hydrophilic surface: 60.029

Pharmacophoric Properties
Hydrogen bond donors: 2	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.