MMsINC Database Search


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MMsINC code: MMs00093137

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

O(C)c1ccc(cc1N)C(=O)c1cc(N)c(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.947 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -3.00021	SlogP: 2.0992	Reactive groups: 0

Topological Properties
Globularity: 0.0305967	Sterimol/B1: 2.50953	Sterimol/B2: 3.54364	Sterimol/B3: 4.05242
Sterimol/B4: 4.9431	Sterimol/L: 16.7426

Surface and Volume Properties
Accessible surface: 509.122	Positive charged surface: 375.504	Negative charged surface: 133.618	Volume: 259.25
Hydrophobic surface: 350.6	Hydrophilic surface: 158.522

Pharmacophoric Properties
Hydrogen bond donors: 2	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.