MMsINC Database Search


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MMsINC code: MMs03239709

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O=C(N(Cc1ccncc1)CC)c1ccc(cc1)C(=O)N(Cc1ccncc1)CC

InChI:

InChI=1/C24H26N4O2/c1-3-27(17-19-9-13-25-14-10-19)23(29)21-5-7-22(8-6-21)24(30)28(4-2)18-20-11-15-26-16-12-20/h5-16H,3-4,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.528 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -3.1391	SlogP: 4.334	Reactive groups: 0

Topological Properties
Globularity: 0.0523748	Sterimol/B1: 2.12689	Sterimol/B2: 3.8427	Sterimol/B3: 3.97819
Sterimol/B4: 8.46246	Sterimol/L: 18.6647

Surface and Volume Properties
Accessible surface: 682.262	Positive charged surface: 481.885	Negative charged surface: 200.376	Volume: 399.5
Hydrophobic surface: 551.177	Hydrophilic surface: 131.085

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.