MMsINC Database Search


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MMsINC code: MMs00888441

Type: Neutral
Formula: C₁₉H₂₂N₂O₄

SMILES:

O(C)c1ccc(cc1NC(=O)C(=O)NCCc1ccc(OC)cc1)C

InChI:

InChI=1/C19H22N2O4/c1-13-4-9-17(25-3)16(12-13)21-19(23)18(22)20-11-10-14-5-7-15(24-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.473 kcal/mol

Physical Properties
Molecular Weight: 342.395 g/mol	logS: -4.16359	SlogP: 2.30959	Reactive groups: 0

Topological Properties
Globularity: 0.0215443	Sterimol/B1: 2.05906	Sterimol/B2: 3.19526	Sterimol/B3: 3.94727
Sterimol/B4: 8.91207	Sterimol/L: 20.7066

Surface and Volume Properties
Accessible surface: 646.921	Positive charged surface: 457.047	Negative charged surface: 189.874	Volume: 334.625
Hydrophobic surface: 538.273	Hydrophilic surface: 108.648

Pharmacophoric Properties
Hydrogen bond donors: 2	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.