MMsINC Database Search


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MMsINC code: MMs01741918

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

Oc1ccccc1C(=O)N(Cc1ccccc1)c1ncccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.651 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -3.70795	SlogP: 3.9006	Reactive groups: 0

Topological Properties
Globularity: 0.106921	Sterimol/B1: 2.187	Sterimol/B2: 3.01964	Sterimol/B3: 4.08762
Sterimol/B4: 8.60794	Sterimol/L: 13.0601

Surface and Volume Properties
Accessible surface: 522.484	Positive charged surface: 313.01	Negative charged surface: 209.474	Volume: 292.25
Hydrophobic surface: 437.043	Hydrophilic surface: 85.441

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.