MMsINC Database Search


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MMsINC code: MMs03217524

Type: Neutral
Formula: C₁₈H₁₃NO₄

SMILES:

O1c2cc(ccc2OC1)Cc1nccc2c1cc1OCOc1c2

InChI:

InChI=1/C18H13NO4/c1-2-15-16(21-9-20-15)6-11(1)5-14-13-8-18-17(22-10-23-18)7-12(13)3-4-19-14/h1-4,6-8H,5,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.438 kcal/mol

Physical Properties
Molecular Weight: 307.305 g/mol	logS: -3.87067	SlogP: 3.28297	Reactive groups: 0

Topological Properties
Globularity: 0.107701	Sterimol/B1: 3.32457	Sterimol/B2: 3.71004	Sterimol/B3: 4.26949
Sterimol/B4: 7.07154	Sterimol/L: 12.9162

Surface and Volume Properties
Accessible surface: 509.053	Positive charged surface: 346.605	Negative charged surface: 153.071	Volume: 275.75
Hydrophobic surface: 390.837	Hydrophilic surface: 118.216

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.