MMsINC Database Search


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MMsINC code: MMs02738553

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C(=O)c1cccnc1)CC(=O)NCc1ccccc1

InChI:

InChI=1/C15H14N2O3/c18-14(17-9-12-5-2-1-3-6-12)11-20-15(19)13-7-4-8-16-10-13/h1-8,10H,9,11H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9265 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.44894	SlogP: 1.8212	Reactive groups: 0

Topological Properties
Globularity: 0.0353805	Sterimol/B1: 3.12489	Sterimol/B2: 3.61704	Sterimol/B3: 3.62053
Sterimol/B4: 4.12558	Sterimol/L: 18.4265

Surface and Volume Properties
Accessible surface: 534.794	Positive charged surface: 341.709	Negative charged surface: 193.086	Volume: 259.375
Hydrophobic surface: 424.485	Hydrophilic surface: 110.309

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.