MMsINC Database Search


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MMsINC code: MMs03458080

Type: Neutral
Formula: C₁₄H₂₃O₄P

SMILES:

P(OCC)(OCC)(=O)C(O)(C)c1cc(C)c(cc1)C

InChI:

InChI=1/C14H23O4P/c1-6-17-19(16,18-7-2)14(5,15)13-9-8-11(3)12(4)10-13/h8-10,15H,6-7H2,1-5H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.294 kcal/mol

Physical Properties
Molecular Weight: 286.308 g/mol	logS: -3.16217	SlogP: 2.97584	Reactive groups: 0

Topological Properties
Globularity: 0.0927942	Sterimol/B1: 2.25877	Sterimol/B2: 3.7571	Sterimol/B3: 3.90304
Sterimol/B4: 7.94425	Sterimol/L: 14.668

Surface and Volume Properties
Accessible surface: 534.986	Positive charged surface: 350.959	Negative charged surface: 184.027	Volume: 284
Hydrophobic surface: 415.991	Hydrophilic surface: 118.995

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.