MMsINC Database Search


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MMsINC code: MMs01467625

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(CC(=O)Nc1cc2c(cc1)cccc2)c1ccccc1C(=O)N

InChI:

InChI=1/C19H16N2O3/c20-19(23)16-7-3-4-8-17(16)24-12-18(22)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.52 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.56169	SlogP: 2.9562	Reactive groups: 0

Topological Properties
Globularity: 0.0149174	Sterimol/B1: 2.53619	Sterimol/B2: 3.28226	Sterimol/B3: 4.48532
Sterimol/B4: 5.29144	Sterimol/L: 18.4428

Surface and Volume Properties
Accessible surface: 574.871	Positive charged surface: 333.057	Negative charged surface: 230.331	Volume: 302.125
Hydrophobic surface: 434.135	Hydrophilic surface: 140.736

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.