MMsINC Database Search


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MMsINC code: MMs00656628

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1ccccc1NC(=O)Cn1cc(c2c1cccc2)C(=O)c1ccccc1

InChI:

InChI=1/C24H20N2O3/c1-29-22-14-8-6-12-20(22)25-23(27)16-26-15-19(18-11-5-7-13-21(18)26)24(28)17-9-3-2-4-10-17/h2-15H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.502 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.68841	SlogP: 4.786	Reactive groups: 0

Topological Properties
Globularity: 0.100047	Sterimol/B1: 2.42661	Sterimol/B2: 5.94178	Sterimol/B3: 5.94956
Sterimol/B4: 7.15415	Sterimol/L: 16.6449

Surface and Volume Properties
Accessible surface: 666.702	Positive charged surface: 400.028	Negative charged surface: 261.485	Volume: 374.75
Hydrophobic surface: 594.374	Hydrophilic surface: 72.328

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.