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MMsINC code: MMs01183669

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O1CCCC1C(=O)N(Cc1nc2c(cc1)cccc2)CCc1ccccc1

InChI:

InChI=1/C23H24N2O2/c26-23(22-11-6-16-27-22)25(15-14-18-7-2-1-3-8-18)17-20-13-12-19-9-4-5-10-21(19)24-20/h1-5,7-10,12-13,22H,6,11,14-17H2/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.167 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -4.69087	SlogP: 4.25147	Reactive groups: 0

Topological Properties
Globularity: 0.0902589	Sterimol/B1: 2.64119	Sterimol/B2: 3.13253	Sterimol/B3: 4.508
Sterimol/B4: 10.6076	Sterimol/L: 15.3965

Surface and Volume Properties
Accessible surface: 633.808	Positive charged surface: 392.053	Negative charged surface: 236.866	Volume: 364
Hydrophobic surface: 579.077	Hydrophilic surface: 54.731

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.