MMsINC Database Search


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MMsINC code: MMs00623672

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

O(C)c1cc(C(OC)=O)c(NC(=O)c2ccccc2C)cc1OC

InChI:

InChI=1/C18H19NO5/c1-11-7-5-6-8-12(11)17(20)19-14-10-16(23-3)15(22-2)9-13(14)18(21)24-4/h5-10H,1-4H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.425 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -4.31128	SlogP: 3.05112	Reactive groups: 0

Topological Properties
Globularity: 0.0408249	Sterimol/B1: 2.13759	Sterimol/B2: 4.14139	Sterimol/B3: 4.76647
Sterimol/B4: 8.39462	Sterimol/L: 16.142

Surface and Volume Properties
Accessible surface: 582.786	Positive charged surface: 438.212	Negative charged surface: 144.574	Volume: 312.25
Hydrophobic surface: 521.094	Hydrophilic surface: 61.692

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.