MMsINC Database Search


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MMsINC code: MMs00125343

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)NCc1ncccc1

InChI:

InChI=1/C15H16N2O3/c1-19-13-7-6-11(9-14(13)20-2)15(18)17-10-12-5-3-4-8-16-12/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)=77.5921 kcal/mol

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

Topological Properties
Globularity: 0.042457	Sterimol/B1: 1.969	Sterimol/B2: 3.3866	Sterimol/B3: 3.84048
Sterimol/B4: 7.56698	Sterimol/L: 15.4636

Surface and Volume Properties
Accessible surface: 530.591	Positive charged surface: 383.256	Negative charged surface: 147.335	Volume: 263.625
Hydrophobic surface: 453.224	Hydrophilic surface: 77.367

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.