MMsINC Database Search


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MMsINC code: MMs00111719

Type: Neutral
Formula: C₂₁H₁₉NO₂

SMILES:

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

InChI:

InChI=1/C21H19NO2/c1-24-19-14-8-13-18(15-19)21(23)22-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1663 kcal/mol

Physical Properties
Molecular Weight: 317.388 g/mol	logS: -5.11719	SlogP: 4.3101	Reactive groups: 0

Topological Properties
Globularity: 0.113637	Sterimol/B1: 3.39563	Sterimol/B2: 4.8149	Sterimol/B3: 5.58326
Sterimol/B4: 5.84123	Sterimol/L: 15.8759

Surface and Volume Properties
Accessible surface: 585.913	Positive charged surface: 342.656	Negative charged surface: 243.257	Volume: 322.75
Hydrophobic surface: 546.846	Hydrophilic surface: 39.067

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.