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MMsINC code: MMs00780711

Type: Neutral
Formula: C₂₄H₃₂N₂O₃

SMILES:

O(CC)c1cccc(CN2CCC(CC2)C(=O)N(Cc2ccccc2)CC)c1O

InChI:

InChI=1/C24H32N2O3/c1-3-26(17-19-9-6-5-7-10-19)24(28)20-13-15-25(16-14-20)18-21-11-8-12-22(23(21)27)29-4-2/h5-12,20,27H,3-4,13-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.635 kcal/mol

Physical Properties
Molecular Weight: 396.531 g/mol	logS: -3.74252	SlogP: 4.5844	Reactive groups: 0

Topological Properties
Globularity: 0.162184	Sterimol/B1: 2.42021	Sterimol/B2: 4.61646	Sterimol/B3: 6.99911
Sterimol/B4: 8.14558	Sterimol/L: 15.332

Surface and Volume Properties
Accessible surface: 707.301	Positive charged surface: 497.857	Negative charged surface: 209.444	Volume: 407.5
Hydrophobic surface: 596.179	Hydrophilic surface: 111.122

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00780712
CHEMBRIDGE-ZINC04725505