MMsINC Database Search


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MMsINC code: MMs02293281

Type: Neutral
Formula: C₂₂H₁₉NO

SMILES:

O(C)c1ccc(cc1)-c1n2c(C=CC=C2)c(C)c1-c1ccccc1

InChI:

InChI=1/C22H19NO/c1-16-20-10-6-7-15-23(20)22(18-11-13-19(24-2)14-12-18)21(16)17-8-4-3-5-9-17/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6702 kcal/mol

Physical Properties
Molecular Weight: 313.4 g/mol	logS: -5.80823	SlogP: 5.63662	Reactive groups: 0

Topological Properties
Globularity: 0.102907	Sterimol/B1: 3.27618	Sterimol/B2: 3.82269	Sterimol/B3: 4.90273
Sterimol/B4: 7.80699	Sterimol/L: 14.7106

Surface and Volume Properties
Accessible surface: 566.043	Positive charged surface: 350.534	Negative charged surface: 215.51	Volume: 325.875
Hydrophobic surface: 552.444	Hydrophilic surface: 13.599

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: 1

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Ions/Tautomers related molecules: no related molecules available.