MMsINC Database Search


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MMsINC code: MMs01483940

Type: Neutral
Formula: C₁₇H₁₆O₄

SMILES:

Oc1ccccc1C(OCC(=O)c1cc(ccc1C)C)=O

InChI:

InChI=1/C17H16O4/c1-11-7-8-12(2)14(9-11)16(19)10-21-17(20)13-5-3-4-6-15(13)18/h3-9,18H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4097 kcal/mol

Physical Properties
Molecular Weight: 284.311 g/mol	logS: -4.45175	SlogP: 3.04874	Reactive groups: 0

Topological Properties
Globularity: 0.00916607	Sterimol/B1: 2.08702	Sterimol/B2: 2.23579	Sterimol/B3: 2.52268
Sterimol/B4: 7.58442	Sterimol/L: 16.585

Surface and Volume Properties
Accessible surface: 532.287	Positive charged surface: 317.03	Negative charged surface: 215.257	Volume: 275.75
Hydrophobic surface: 434.483	Hydrophilic surface: 97.804

Pharmacophoric Properties
Hydrogen bond donors: 1	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.