MMsINC Database Search


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MMsINC code: MMs00720668

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O=C1NC(=O)c2c1cc(NC(=O)CCc1ccccc1)cc2

InChI:

InChI=1/C17H14N2O3/c20-15(9-6-11-4-2-1-3-5-11)18-12-7-8-13-14(10-12)17(22)19-16(13)21/h1-5,7-8,10H,6,9H2,(H,18,20)(H,19,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5606 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -3.9541	SlogP: 2.14147	Reactive groups: 0

Topological Properties
Globularity: 0.0319387	Sterimol/B1: 3.00788	Sterimol/B2: 3.53695	Sterimol/B3: 4.47421
Sterimol/B4: 4.68201	Sterimol/L: 18.0874

Surface and Volume Properties
Accessible surface: 537.383	Positive charged surface: 304.038	Negative charged surface: 233.346	Volume: 274
Hydrophobic surface: 357.474	Hydrophilic surface: 179.909

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.