MMsINC Database Search


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MMsINC code: MMs01147119

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O(N=C1c2c(CCc3c1cccc3)cccc2)C(=O)c1ccc(cc1)C

InChI:

InChI=1/C23H19NO2/c1-16-10-12-19(13-11-16)23(25)26-24-22-20-8-4-2-6-17(20)14-15-18-7-3-5-9-21(18)22/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.632 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -7.06864	SlogP: 4.70296	Reactive groups: 0

Topological Properties
Globularity: 0.0701237	Sterimol/B1: 3.6887	Sterimol/B2: 3.93139	Sterimol/B3: 4.85394
Sterimol/B4: 5.9827	Sterimol/L: 17.071

Surface and Volume Properties
Accessible surface: 602.885	Positive charged surface: 339.33	Negative charged surface: 263.556	Volume: 339.5
Hydrophobic surface: 556.409	Hydrophilic surface: 46.476

Pharmacophoric Properties
Hydrogen bond donors: 0	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.