MMsINC Database Search


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MMsINC code: MMs00498497

Type: Neutral
Formula: C₂₀H₁₆N₂O₃

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1ccc(cc1)C(=O)c1ccncc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.034 kcal/mol

Physical Properties
Molecular Weight: 332.359 g/mol	logS: -4.21992	SlogP: 3.5735	Reactive groups: 0

Topological Properties
Globularity: 0.0255238	Sterimol/B1: 2.4154	Sterimol/B2: 2.49497	Sterimol/B3: 4.02166
Sterimol/B4: 6.55937	Sterimol/L: 19.2361

Surface and Volume Properties
Accessible surface: 589.077	Positive charged surface: 375.472	Negative charged surface: 213.605	Volume: 314.75
Hydrophobic surface: 491.316	Hydrophilic surface: 97.761

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.