MMsINC Database Search


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MMsINC code: MMs00874160

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O=C1N(C)C(=O)N(c2c1c(n(c2)-c1ccc(N(CC)CC)cc1)-c1ccccc1)C

InChI:

InChI=1/C24H26N4O2/c1-5-27(6-2)18-12-14-19(15-13-18)28-16-20-21(22(28)17-10-8-7-9-11-17)23(29)26(4)24(30)25(20)3/h7-16H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.708 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -4.86402	SlogP: 4.6323	Reactive groups: 0

Topological Properties
Globularity: 0.0834301	Sterimol/B1: 2.14379	Sterimol/B2: 5.33038	Sterimol/B3: 6.58132
Sterimol/B4: 7.22569	Sterimol/L: 16.8119

Surface and Volume Properties
Accessible surface: 673.897	Positive charged surface: 472.223	Negative charged surface: 201.674	Volume: 400.625
Hydrophobic surface: 542.34	Hydrophilic surface: 131.557

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.