MMsINC Database Search


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MMsINC code: MMs00707291

Type: Neutral
Formula: C₁₈H₂₀N₂O₄

SMILES:

O(C)c1ccccc1CNC(=O)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C18H20N2O4/c1-3-24-15-10-8-14(9-11-15)20-18(22)17(21)19-12-13-6-4-5-7-16(13)23-2/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3572 kcal/mol

Physical Properties
Molecular Weight: 328.368 g/mol	logS: -3.95541	SlogP: 2.6152	Reactive groups: 0

Topological Properties
Globularity: 0.0593643	Sterimol/B1: 2.64309	Sterimol/B2: 4.72378	Sterimol/B3: 4.77011
Sterimol/B4: 5.45668	Sterimol/L: 19.8105

Surface and Volume Properties
Accessible surface: 629.142	Positive charged surface: 421.683	Negative charged surface: 207.459	Volume: 317
Hydrophobic surface: 494.947	Hydrophilic surface: 134.195

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.