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MMsINC code: MMs00260670

Type: Neutral
Formula: C₂₄H₃₀N₂O₂

SMILES:

O(C(=O)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1)CCN(CC)CC

InChI:

InChI=1/C24H30N2O2/c1-5-25(6-2)14-15-28-24(27)21-12-13-23-22(16-21)18(3)19(4)26(23)17-20-10-8-7-9-11-20/h7-13,16H,5-6,14-15,17H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9504 kcal/mol

Physical Properties
Molecular Weight: 378.516 g/mol	logS: -4.74459	SlogP: 5.07144	Reactive groups: 0

Topological Properties
Globularity: 0.0588217	Sterimol/B1: 3.64359	Sterimol/B2: 4.04264	Sterimol/B3: 5.42053
Sterimol/B4: 6.25248	Sterimol/L: 18.6081

Surface and Volume Properties
Accessible surface: 695.122	Positive charged surface: 449.903	Negative charged surface: 239.261	Volume: 401.125
Hydrophobic surface: 601.311	Hydrophilic surface: 93.811

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

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Ions/Tautomers related molecules

MMs00260671
ASINEX-ZINC02024781