MMsINC Database Search


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MMsINC code: MMs00928121

Type: Neutral
Formula: C₂₃H₁₉NO

SMILES:

O1CCc2c(n(c3c2cccc3)Cc2ccccc2)-c2c1cccc2

InChI:

InChI=1/C23H19NO/c1-2-8-17(9-3-1)16-24-21-12-6-4-10-18(21)19-14-15-25-22-13-7-5-11-20(22)23(19)24/h1-13H,14-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.572 kcal/mol

Physical Properties
Molecular Weight: 325.411 g/mol	logS: -5.96612	SlogP: 5.55787	Reactive groups: 0

Topological Properties
Globularity: 0.23463	Sterimol/B1: 2.21484	Sterimol/B2: 2.42841	Sterimol/B3: 5.66488
Sterimol/B4: 9.6565	Sterimol/L: 13.7278

Surface and Volume Properties
Accessible surface: 548.31	Positive charged surface: 327.727	Negative charged surface: 215.247	Volume: 329.625
Hydrophobic surface: 527.947	Hydrophilic surface: 20.363

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.