MMsINC Database Search


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MMsINC code: MMs00639629

Type: Neutral
Formula: C₁₇H₁₅IO₄

SMILES:

Ic1cc(ccc1OC)C(Oc1ccc(cc1)C(=O)CC)=O

InChI:

InChI=1/C17H15IO4/c1-3-15(19)11-4-7-13(8-5-11)22-17(20)12-6-9-16(21-2)14(18)10-12/h4-10H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3008 kcal/mol

Physical Properties
Molecular Weight: 410.207 g/mol	logS: -5.05488	SlogP: 4.1117	Reactive groups: 0

Topological Properties
Globularity: 0.0306655	Sterimol/B1: 2.73436	Sterimol/B2: 3.12514	Sterimol/B3: 4.05137
Sterimol/B4: 5.7618	Sterimol/L: 19.728

Surface and Volume Properties
Accessible surface: 593.234	Positive charged surface: 322.824	Negative charged surface: 270.41	Volume: 306
Hydrophobic surface: 507.228	Hydrophilic surface: 86.006

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.