MMsINC Database Search


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MMsINC code: MMs02642754

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O(C)c1c2c(cccc2)c(NC(=O)Cc2c3c(ccc2)cccc3)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.261 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -7.22248	SlogP: 5.18277	Reactive groups: 0

Topological Properties
Globularity: 0.116116	Sterimol/B1: 1.97061	Sterimol/B2: 3.86017	Sterimol/B3: 5.39515
Sterimol/B4: 8.73408	Sterimol/L: 15.4709

Surface and Volume Properties
Accessible surface: 608.281	Positive charged surface: 360.518	Negative charged surface: 228.829	Volume: 340.375
Hydrophobic surface: 579.406	Hydrophilic surface: 28.875

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.