MMsINC Database Search


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MMsINC code: MMs01067724

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

O(C)c1cc(cc(OC)c1)CNC(=O)c1ncccc1

InChI:

InChI=1/C15H16N2O3/c1-19-12-7-11(8-13(9-12)20-2)10-17-15(18)14-5-3-4-6-16-14/h3-9H,10H2,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8827 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -2.29445	SlogP: 2.2952	Reactive groups: 0

Topological Properties
Globularity: 0.111879	Sterimol/B1: 2.49429	Sterimol/B2: 3.8626	Sterimol/B3: 4.83947
Sterimol/B4: 7.10168	Sterimol/L: 15.544

Surface and Volume Properties
Accessible surface: 534.256	Positive charged surface: 390.078	Negative charged surface: 144.178	Volume: 262.875
Hydrophobic surface: 444.89	Hydrophilic surface: 89.366

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.