MMsINC Database Search


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MMsINC code: MMs00527332

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O(c1ccc(cc1)CN1C=CC(=O)NC1=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.7732 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -3.85767	SlogP: 3.3108	Reactive groups: 0

Topological Properties
Globularity: 0.0819209	Sterimol/B1: 3.26392	Sterimol/B2: 3.65629	Sterimol/B3: 3.95694
Sterimol/B4: 4.63353	Sterimol/L: 16.7585

Surface and Volume Properties
Accessible surface: 521.595	Positive charged surface: 289.017	Negative charged surface: 232.578	Volume: 276.125
Hydrophobic surface: 396.715	Hydrophilic surface: 124.88

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.