MMsINC Database Search


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MMsINC code: MMs02301850

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

O(CC)c1ccc(NC(=O)Nc2cc(C(C)C)c(O)cc2C)cc1

InChI:

InChI=1/C19H24N2O3/c1-5-24-15-8-6-14(7-9-15)20-19(23)21-17-11-16(12(2)3)18(22)10-13(17)4/h6-12,22H,5H2,1-4H3,(H2,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9947 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -4.61907	SlogP: 4.86672	Reactive groups: 0

Topological Properties
Globularity: 0.0367879	Sterimol/B1: 3.02117	Sterimol/B2: 4.00225	Sterimol/B3: 4.28049
Sterimol/B4: 6.64737	Sterimol/L: 18.3626

Surface and Volume Properties
Accessible surface: 622.393	Positive charged surface: 420.753	Negative charged surface: 201.64	Volume: 329.375
Hydrophobic surface: 461.25	Hydrophilic surface: 161.143

Pharmacophoric Properties
Hydrogen bond donors: 3	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.