MMsINC Database Search


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MMsINC code: MMs01435985

Type: Neutral
Formula: C₁₉H₂₁NO₅

SMILES:

O(CC)c1ccccc1C(=O)NCC(OCCOc1ccccc1)=O

InChI:

InChI=1/C19H21NO5/c1-2-23-17-11-7-6-10-16(17)19(22)20-14-18(21)25-13-12-24-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9368 kcal/mol

Physical Properties
Molecular Weight: 343.379 g/mol	logS: -4.16149	SlogP: 2.4373	Reactive groups: 1

Topological Properties
Globularity: 0.0233028	Sterimol/B1: 2.01624	Sterimol/B2: 2.54958	Sterimol/B3: 4.15884
Sterimol/B4: 8.78072	Sterimol/L: 19.7624

Surface and Volume Properties
Accessible surface: 661.485	Positive charged surface: 429.787	Negative charged surface: 231.698	Volume: 333.5
Hydrophobic surface: 548.193	Hydrophilic surface: 113.292

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.