MMsINC Database Search


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MMsINC code: MMs01178727

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O1c2cc(ccc2OC1)CC(=O)N(Cc1ncccc1)CCc1ccccc1

InChI:

InChI=1/C23H22N2O3/c26-23(15-19-9-10-21-22(14-19)28-17-27-21)25(16-20-8-4-5-12-24-20)13-11-18-6-2-1-3-7-18/h1-10,12,14H,11,13,15-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5796 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -3.93364	SlogP: 3.89064	Reactive groups: 0

Topological Properties
Globularity: 0.089386	Sterimol/B1: 2.77207	Sterimol/B2: 3.76044	Sterimol/B3: 4.41174
Sterimol/B4: 9.90507	Sterimol/L: 17.5609

Surface and Volume Properties
Accessible surface: 647.523	Positive charged surface: 418.357	Negative charged surface: 229.167	Volume: 366.375
Hydrophobic surface: 560.206	Hydrophilic surface: 87.317

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.