MMsINC Database Search


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MMsINC code: MMs00836544

Type: Neutral
Formula: C₂₃H₂₁NO₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)Nc1ccc(cc1)C(C)C

InChI:

InChI=1/C23H21NO2/c1-15(2)16-11-13-17(14-12-16)24-23(25)22-18-7-3-5-9-20(18)26-21-10-6-4-8-19(21)22/h3-15,22H,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.537 kcal/mol

Physical Properties
Molecular Weight: 343.426 g/mol	logS: -7.11211	SlogP: 5.6863	Reactive groups: 0

Topological Properties
Globularity: 0.0887287	Sterimol/B1: 2.82166	Sterimol/B2: 4.64592	Sterimol/B3: 5.38336
Sterimol/B4: 6.60276	Sterimol/L: 15.6873

Surface and Volume Properties
Accessible surface: 618.332	Positive charged surface: 369.309	Negative charged surface: 249.024	Volume: 345.5
Hydrophobic surface: 557.494	Hydrophilic surface: 60.838

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