MMsINC Database Search


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MMsINC code: MMs01036462

Type: Neutral
Formula: C₂₄H₃₀N₄O₂

SMILES:

O1CCN(CC1)C(=O)CCc1c(c2c(nc1C)n(nc2C)-c1cc(C)c(cc1)C)C

InChI:

InChI=1/C24H30N4O2/c1-15-6-7-20(14-16(15)2)28-24-23(19(5)26-28)17(3)21(18(4)25-24)8-9-22(29)27-10-12-30-13-11-27/h6-7,14H,8-13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.846 kcal/mol

Physical Properties
Molecular Weight: 406.53 g/mol	logS: -5.68794	SlogP: 3.75397	Reactive groups: 0

Topological Properties
Globularity: 0.0798987	Sterimol/B1: 2.30271	Sterimol/B2: 4.09498	Sterimol/B3: 4.70511
Sterimol/B4: 8.34052	Sterimol/L: 20.2626

Surface and Volume Properties
Accessible surface: 719.894	Positive charged surface: 484.901	Negative charged surface: 228.741	Volume: 408.625
Hydrophobic surface: 660.763	Hydrophilic surface: 59.131

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.