MMsINC Database Search


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MMsINC code: MMs00418591

Type: Neutral
Formula: C₁₈H₁₈N₂O₅

SMILES:

O1CC(=O)N(c2c1cccc2)CC(=O)Nc1cc(OC)cc(OC)c1

InChI:

InChI=1/C18H18N2O5/c1-23-13-7-12(8-14(9-13)24-2)19-17(21)10-20-15-5-3-4-6-16(15)25-11-18(20)22/h3-9H,10-11H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.199 kcal/mol

Physical Properties
Molecular Weight: 342.351 g/mol	logS: -3.77739	SlogP: 2.0679	Reactive groups: 0

Topological Properties
Globularity: 0.103054	Sterimol/B1: 2.50624	Sterimol/B2: 3.09057	Sterimol/B3: 5.49746
Sterimol/B4: 7.37521	Sterimol/L: 15.6025

Surface and Volume Properties
Accessible surface: 588.966	Positive charged surface: 412.156	Negative charged surface: 176.81	Volume: 312.375
Hydrophobic surface: 478	Hydrophilic surface: 110.966

Pharmacophoric Properties
Hydrogen bond donors: 1	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.