MMsINC Database Search


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MMsINC code: MMs01553702

Type: Neutral
Formula: C₁₇H₁₆O₄

SMILES:

O1c2cc(ccc2OC1)COC(=O)c1ccc(cc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3609 kcal/mol

Physical Properties
Molecular Weight: 284.311 g/mol	logS: -4.43745	SlogP: 3.65554	Reactive groups: 0

Topological Properties
Globularity: 0.0559116	Sterimol/B1: 2.34246	Sterimol/B2: 3.43595	Sterimol/B3: 4.15594
Sterimol/B4: 6.5334	Sterimol/L: 16.7018

Surface and Volume Properties
Accessible surface: 533.811	Positive charged surface: 342.185	Negative charged surface: 191.626	Volume: 272
Hydrophobic surface: 446.845	Hydrophilic surface: 86.966

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.