MMsINC Database Search


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MMsINC code: MMs03848866

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(c1cc(ccc1)C(=O)NCc1ncccc1)c1ccccc1

InChI:

InChI=1/C19H16N2O2/c22-19(21-14-16-8-4-5-12-20-16)15-7-6-11-18(13-15)23-17-9-2-1-3-10-17/h1-13H,14H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1022 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -3.9764	SlogP: 4.0703	Reactive groups: 0

Topological Properties
Globularity: 0.0660588	Sterimol/B1: 2.2259	Sterimol/B2: 3.06989	Sterimol/B3: 4.4036
Sterimol/B4: 5.84265	Sterimol/L: 18.4742

Surface and Volume Properties
Accessible surface: 580.564	Positive charged surface: 341.977	Negative charged surface: 238.586	Volume: 300.625
Hydrophobic surface: 520.536	Hydrophilic surface: 60.028

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.