MMsINC Database Search


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MMsINC code: MMs02295118

Type: Neutral
Formula: C₁₇H₂₁O₆P

SMILES:

P(OC)(OC)(=O)C(O)(C(O)C(O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C17H21O6P/c1-22-24(21,23-2)17(20,14-11-7-4-8-12-14)16(19)15(18)13-9-5-3-6-10-13/h3-12,15-16,18-20H,1-2H3/t15-,16+,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.233 kcal/mol

Physical Properties
Molecular Weight: 352.323 g/mol	logS: -2.59552	SlogP: 1.7489	Reactive groups: 0

Topological Properties
Globularity: 0.218017	Sterimol/B1: 3.43517	Sterimol/B2: 3.6051	Sterimol/B3: 5.01538
Sterimol/B4: 7.75985	Sterimol/L: 14.9499

Surface and Volume Properties
Accessible surface: 562.98	Positive charged surface: 366.554	Negative charged surface: 196.426	Volume: 320.75
Hydrophobic surface: 474.544	Hydrophilic surface: 88.436

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs02295119
NCID-ZINC01656851