MMsINC Database Search


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MMsINC code: MMs02682947

Type: Neutral
Formula: C₁₆H₁₈N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)Nc1nc(cc(c1)C)C

InChI:

InChI=1/C16H18N2O3/c1-10-7-11(2)17-15(8-10)18-16(19)12-5-6-13(20-3)14(9-12)21-4/h5-9H,1-4H3,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6698 kcal/mol

Physical Properties
Molecular Weight: 286.331 g/mol	logS: -3.29606	SlogP: 2.96794	Reactive groups: 0

Topological Properties
Globularity: 0.00982009	Sterimol/B1: 2.36685	Sterimol/B2: 2.52807	Sterimol/B3: 2.65195
Sterimol/B4: 7.53541	Sterimol/L: 16.387

Surface and Volume Properties
Accessible surface: 555.394	Positive charged surface: 398.065	Negative charged surface: 157.329	Volume: 279.5
Hydrophobic surface: 487.792	Hydrophilic surface: 67.602

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.