MMsINC Database Search


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MMsINC code: MMs02273016

Type: Neutral
Formula: C₁₅H₂₆O₇P₂

SMILES:

P(O)(O)(=O)C(P(O)(O)=O)c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C

InChI:

InChI=1/C15H26O7P2/c1-14(2,3)10-7-9(8-11(12(10)16)15(4,5)6)13(23(17,18)19)24(20,21)22/h7-8,13,16H,1-6H3,(H2,17,18,19)(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.0357 kcal/mol

Physical Properties
Molecular Weight: 380.314 g/mol	logS: -2.95044	SlogP: 1.2963	Reactive groups: 0

Topological Properties
Globularity: 0.255234	Sterimol/B1: 2.1096	Sterimol/B2: 4.49607	Sterimol/B3: 4.66398
Sterimol/B4: 9.21354	Sterimol/L: 12.5162

Surface and Volume Properties
Accessible surface: 562.167	Positive charged surface: 339.529	Negative charged surface: 222.638	Volume: 331.375
Hydrophobic surface: 239.511	Hydrophilic surface: 322.656

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 7	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.