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MMsINC code: MMs02444541

Type: Neutral
Formula: C₂₄H₃₂N₄O₂

SMILES:

O=C1c2c(cccc2NCCCN(C)C)C(=O)c2c1c(NCCCN(C)C)ccc2

InChI:

InChI=1/C24H32N4O2/c1-27(2)15-7-13-25-19-11-5-9-17-21(19)24(30)22-18(23(17)29)10-6-12-20(22)26-14-8-16-28(3)4/h5-6,9-12,25-26H,7-8,13-16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.552 kcal/mol

Physical Properties
Molecular Weight: 408.546 g/mol	logS: -3.67724	SlogP: 3.1892	Reactive groups: 0

Topological Properties
Globularity: 0.0375356	Sterimol/B1: 2.443	Sterimol/B2: 2.86134	Sterimol/B3: 4.29264
Sterimol/B4: 12.188	Sterimol/L: 15.8174

Surface and Volume Properties
Accessible surface: 752.367	Positive charged surface: 599.328	Negative charged surface: 153.039	Volume: 423.25
Hydrophobic surface: 672.321	Hydrophilic surface: 80.046

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02444542
NCID-ZINC05140436