MMsINC Database Search


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MMsINC code: MMs01948587

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

o1nc(cc1NC(=O)COc1ccc(cc1)CC)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9036 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -5.77362	SlogP: 3.92147	Reactive groups: 0

Topological Properties
Globularity: 0.00779061	Sterimol/B1: 2.04756	Sterimol/B2: 3.34884	Sterimol/B3: 3.61007
Sterimol/B4: 4.71638	Sterimol/L: 22.1551

Surface and Volume Properties
Accessible surface: 611.51	Positive charged surface: 353.635	Negative charged surface: 257.875	Volume: 315.125
Hydrophobic surface: 482.805	Hydrophilic surface: 128.705

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.