MMsINC Database Search


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MMsINC code: MMs01941570

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O(C)c1cc2c([nH]c(C(=O)N3CCC(CC3)C(OCC)=O)c2C)cc1

InChI:

InChI=1/C19H24N2O4/c1-4-25-19(23)13-7-9-21(10-8-13)18(22)17-12(2)15-11-14(24-3)5-6-16(15)20-17/h5-6,11,13,20H,4,7-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.512 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -3.12293	SlogP: 2.90022	Reactive groups: 0

Topological Properties
Globularity: 0.0753751	Sterimol/B1: 2.12457	Sterimol/B2: 3.22764	Sterimol/B3: 4.90043
Sterimol/B4: 8.32138	Sterimol/L: 18.2048

Surface and Volume Properties
Accessible surface: 619.77	Positive charged surface: 438.769	Negative charged surface: 176.567	Volume: 336.75
Hydrophobic surface: 499.078	Hydrophilic surface: 120.692

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.