MMsINC Database Search


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MMsINC code: MMs01207204

Type: Neutral
Formula: C₂₄H₂₈N₄O₂

SMILES:

O(C)c1ccc(cc1)-c1nc(N2CCN(CC2)C(=O)CC(C)C)c2c(n1)cccc2

InChI:

InChI=1/C24H28N4O2/c1-17(2)16-22(29)27-12-14-28(15-13-27)24-20-6-4-5-7-21(20)25-23(26-24)18-8-10-19(30-3)11-9-18/h4-11,17H,12-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.534 kcal/mol

Physical Properties
Molecular Weight: 404.514 g/mol	logS: -6.56412	SlogP: 4.0001	Reactive groups: 0

Topological Properties
Globularity: 0.0578359	Sterimol/B1: 3.47737	Sterimol/B2: 4.09079	Sterimol/B3: 5.71551
Sterimol/B4: 10.1926	Sterimol/L: 17.1562

Surface and Volume Properties
Accessible surface: 711.815	Positive charged surface: 498.05	Negative charged surface: 205.019	Volume: 404.875
Hydrophobic surface: 604.981	Hydrophilic surface: 106.834

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.