MMsINC Database Search


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MMsINC code: MMs01526070

Type: Neutral
Formula: C₂₂H₁₉NO₅

SMILES:

O(c1ccccc1NC(=O)COC(=O)c1cc(OC)ccc1)c1ccccc1

InChI:

InChI=1/C22H19NO5/c1-26-18-11-7-8-16(14-18)22(25)27-15-21(24)23-19-12-5-6-13-20(19)28-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.205 kcal/mol

Physical Properties
Molecular Weight: 377.396 g/mol	logS: -5.59613	SlogP: 4.283	Reactive groups: 0

Topological Properties
Globularity: 0.0203112	Sterimol/B1: 3.06164	Sterimol/B2: 3.56477	Sterimol/B3: 3.66497
Sterimol/B4: 6.79128	Sterimol/L: 22.2248

Surface and Volume Properties
Accessible surface: 669.219	Positive charged surface: 414.861	Negative charged surface: 254.358	Volume: 357.125
Hydrophobic surface: 577.226	Hydrophilic surface: 91.993

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.