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MMsINC code: MMs01387390

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(c1cc(ccc1)C(=O)NCC(N(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H24N2O2/c1-25(2)22(18-10-5-3-6-11-18)17-24-23(26)19-12-9-15-21(16-19)27-20-13-7-4-8-14-20/h3-16,22H,17H2,1-2H3,(H,24,26)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.769 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -4.97951	SlogP: 4.6071	Reactive groups: 0

Topological Properties
Globularity: 0.0620164	Sterimol/B1: 2.23735	Sterimol/B2: 3.28705	Sterimol/B3: 4.95958
Sterimol/B4: 6.45019	Sterimol/L: 18.9767

Surface and Volume Properties
Accessible surface: 661.454	Positive charged surface: 399.731	Negative charged surface: 261.722	Volume: 368
Hydrophobic surface: 624.274	Hydrophilic surface: 37.18

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs01387391
ENAMINE-ZINC03347649