MMsINC Database Search


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MMsINC code: MMs00453363

Type: Neutral
Formula: C₁₉H₂₂N₂O₅

SMILES:

O(C)c1cc(OC)ccc1NC(=O)NC(Cc1ccccc1)C(OC)=O

InChI:

InChI=1/C19H22N2O5/c1-24-14-9-10-15(17(12-14)25-2)20-19(23)21-16(18(22)26-3)11-13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7494 kcal/mol

Physical Properties
Molecular Weight: 358.394 g/mol	logS: -3.76649	SlogP: 2.60957	Reactive groups: 0

Topological Properties
Globularity: 0.103499	Sterimol/B1: 3.09421	Sterimol/B2: 4.92166	Sterimol/B3: 5.06505
Sterimol/B4: 7.81238	Sterimol/L: 15.2639

Surface and Volume Properties
Accessible surface: 651.129	Positive charged surface: 472.697	Negative charged surface: 178.432	Volume: 344.75
Hydrophobic surface: 563.156	Hydrophilic surface: 87.973

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.