MMsINC Database Search


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MMsINC code: MMs03000143

Type: Neutral
Formula: C₁₉H₁₇NO₄

SMILES:

O1c2cc(ccc2OC1)Cc1c2c(cnc1)c(OC)c(OC)cc2

InChI:

InChI=1/C19H17NO4/c1-21-17-6-4-14-13(9-20-10-15(14)19(17)22-2)7-12-3-5-16-18(8-12)24-11-23-16/h3-6,8-10H,7,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.547 kcal/mol

Physical Properties
Molecular Weight: 323.348 g/mol	logS: -3.86341	SlogP: 3.57147	Reactive groups: 0

Topological Properties
Globularity: 0.0833118	Sterimol/B1: 2.14898	Sterimol/B2: 3.50122	Sterimol/B3: 3.63587
Sterimol/B4: 8.64951	Sterimol/L: 14.7109

Surface and Volume Properties
Accessible surface: 551.987	Positive charged surface: 415.054	Negative charged surface: 128.263	Volume: 304.75
Hydrophobic surface: 464.743	Hydrophilic surface: 87.244

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.