MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00054268

Type: Neutral
Formula: C₁₀H₁₄IO₄P

SMILES:

Ic1ccc(cc1)C(P(OC)(OC)=O)(O)C

InChI:

InChI=1/C10H14IO4P/c1-10(12,16(13,14-2)15-3)8-4-6-9(11)7-5-8/h4-7,12H,1-3H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8025 kcal/mol

Physical Properties
Molecular Weight: 356.096 g/mol	logS: -2.55143	SlogP: 2.1834	Reactive groups: 0

Topological Properties
Globularity: 0.187825	Sterimol/B1: 2.14541	Sterimol/B2: 2.9444	Sterimol/B3: 4.28595
Sterimol/B4: 7.2024	Sterimol/L: 14.1692

Surface and Volume Properties
Accessible surface: 473.157	Positive charged surface: 270.319	Negative charged surface: 202.838	Volume: 244.875
Hydrophobic surface: 398.169	Hydrophilic surface: 74.988

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.