MMsINC Database Search


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MMsINC code: MMs03002390

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C(=O)c1ccc(cc1)C(=O)Nc1ncccc1C)C

InChI:

InChI=1/C15H14N2O3/c1-10-4-3-9-16-13(10)17-14(18)11-5-7-12(8-6-11)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8921 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.95019	SlogP: 2.42892	Reactive groups: 0

Topological Properties
Globularity: 0.00515745	Sterimol/B1: 2.15632	Sterimol/B2: 2.37856	Sterimol/B3: 2.5121
Sterimol/B4: 6.7729	Sterimol/L: 17.055

Surface and Volume Properties
Accessible surface: 512.266	Positive charged surface: 332.634	Negative charged surface: 179.632	Volume: 258.625
Hydrophobic surface: 424.629	Hydrophilic surface: 87.637

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.