MMsINC Database Search


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MMsINC code: MMs02746816

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

O(C)c1cccc(OC)c1C(=O)Nc1ncc(cc1)C

InChI:

InChI=1/C15H16N2O3/c1-10-7-8-13(16-9-10)17-15(18)14-11(19-2)5-4-6-12(14)20-3/h4-9H,1-3H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8544 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -2.66922	SlogP: 2.65952	Reactive groups: 0

Topological Properties
Globularity: 0.0665464	Sterimol/B1: 3.24841	Sterimol/B2: 4.31684	Sterimol/B3: 5.89014
Sterimol/B4: 5.96975	Sterimol/L: 15.1275

Surface and Volume Properties
Accessible surface: 531.559	Positive charged surface: 388.749	Negative charged surface: 142.81	Volume: 263.125
Hydrophobic surface: 470.877	Hydrophilic surface: 60.682

Pharmacophoric Properties
Hydrogen bond donors: 1	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.