MMsINC Database Search


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MMsINC code: MMs00066929

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C(=O)C)c1ccc(cc1)C(=O)NCc1ncccc1

InChI:

InChI=1/C15H14N2O3/c1-11(18)20-14-7-5-12(6-8-14)15(19)17-10-13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8886 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.54721	SlogP: 2.2033	Reactive groups: 0

Topological Properties
Globularity: 0.0439415	Sterimol/B1: 2.49785	Sterimol/B2: 3.34398	Sterimol/B3: 4.03201
Sterimol/B4: 5.99449	Sterimol/L: 16.8755

Surface and Volume Properties
Accessible surface: 525.603	Positive charged surface: 314.525	Negative charged surface: 211.078	Volume: 257.875
Hydrophobic surface: 422.696	Hydrophilic surface: 102.907

Pharmacophoric Properties
Hydrogen bond donors: 1	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.