MMsINC Database Search


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MMsINC code: MMs01402533

Type: Neutral
Formula: C₂₂H₂₃NO₂

SMILES:

O(C)c1cc(C)c(NC(c2ccccc2)c2ccccc2)cc1OC

InChI:

InChI=1/C22H23NO2/c1-16-14-20(24-2)21(25-3)15-19(16)23-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,22-23H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.406 kcal/mol

Physical Properties
Molecular Weight: 333.431 g/mol	logS: -4.97837	SlogP: 5.30922	Reactive groups: 0

Topological Properties
Globularity: 0.231201	Sterimol/B1: 2.26644	Sterimol/B2: 4.40565	Sterimol/B3: 5.51433
Sterimol/B4: 8.72346	Sterimol/L: 15.8715

Surface and Volume Properties
Accessible surface: 610.411	Positive charged surface: 400.855	Negative charged surface: 209.556	Volume: 348.25
Hydrophobic surface: 591.082	Hydrophilic surface: 19.329

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.