MMsINC Database Search


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MMsINC code: MMs01873146

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(C)c1cc2C=C(CN(C(=O)c3ccccc3)C)C(=O)Nc2cc1

InChI:

InChI=1/C19H18N2O3/c1-21(19(23)13-6-4-3-5-7-13)12-15-10-14-11-16(24-2)8-9-17(14)20-18(15)22/h3-11H,12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2645 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.10964	SlogP: 2.8029	Reactive groups: 0

Topological Properties
Globularity: 0.067795	Sterimol/B1: 3.10912	Sterimol/B2: 3.23212	Sterimol/B3: 4.33063
Sterimol/B4: 7.11394	Sterimol/L: 16.7147

Surface and Volume Properties
Accessible surface: 557.082	Positive charged surface: 370.472	Negative charged surface: 186.61	Volume: 308.5
Hydrophobic surface: 459.413	Hydrophilic surface: 97.669

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.