MMsINC Database Search


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MMsINC code: MMs02255462

Type: Neutral
Formula: C₁₅H₂₀NO₄P

SMILES:

P(OC)(OC)(=O)CCC(=O)c1c2c(n(c1)CC)cccc2

InChI:

InChI=1/C15H20NO4P/c1-4-16-11-13(12-7-5-6-8-14(12)16)15(17)9-10-21(18,19-2)20-3/h5-8,11H,4,9-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.6004 kcal/mol

Physical Properties
Molecular Weight: 309.302 g/mol	logS: -2.10367	SlogP: 2.9161	Reactive groups: 0

Topological Properties
Globularity: 0.032865	Sterimol/B1: 2.44333	Sterimol/B2: 2.76738	Sterimol/B3: 3.89171
Sterimol/B4: 8.244	Sterimol/L: 16.6165

Surface and Volume Properties
Accessible surface: 561.718	Positive charged surface: 387.597	Negative charged surface: 169.551	Volume: 294.5
Hydrophobic surface: 461.449	Hydrophilic surface: 100.269

Pharmacophoric Properties
Hydrogen bond donors: 0	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.