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MMsINC code: MMs01978735

Type: Neutral
Formula: C₂₂H₂₀N₂O₂

SMILES:

O(CC(=O)NCCn1c2c(cccc2)cc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C22H20N2O2/c25-22(16-26-20-10-9-17-5-1-2-7-19(17)15-20)23-12-14-24-13-11-18-6-3-4-8-21(18)24/h1-11,13,15H,12,14,16H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9501 kcal/mol

Physical Properties
Molecular Weight: 344.414 g/mol	logS: -5.46396	SlogP: 4.2561	Reactive groups: 0

Topological Properties
Globularity: 0.0374146	Sterimol/B1: 3.32604	Sterimol/B2: 3.77356	Sterimol/B3: 4.03143
Sterimol/B4: 4.36092	Sterimol/L: 21.3041

Surface and Volume Properties
Accessible surface: 654.774	Positive charged surface: 369.046	Negative charged surface: 268.453	Volume: 344
Hydrophobic surface: 575.801	Hydrophilic surface: 78.973

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.