MMsINC Database Search


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MMsINC code: MMs01972824

Type: Neutral
Formula: C₂₀H₁₆N₂O₃

SMILES:

O(C)c1ccc(cc1)C(=O)NCc1c2c3c(ccc2)C(=O)Nc3cc1

InChI:

InChI=1/C20H16N2O3/c1-25-14-8-5-12(6-9-14)19(23)21-11-13-7-10-17-18-15(13)3-2-4-16(18)20(24)22-17/h2-10H,11H2,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8549 kcal/mol

Physical Properties
Molecular Weight: 332.359 g/mol	logS: -5.55166	SlogP: 3.6105	Reactive groups: 0

Topological Properties
Globularity: 0.11696	Sterimol/B1: 2.10839	Sterimol/B2: 3.69378	Sterimol/B3: 5.69683
Sterimol/B4: 7.09623	Sterimol/L: 16.5922

Surface and Volume Properties
Accessible surface: 578.523	Positive charged surface: 348.335	Negative charged surface: 221.281	Volume: 311.625
Hydrophobic surface: 441.967	Hydrophilic surface: 136.556

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.