MMsINC Database Search


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MMsINC code: MMs01124826

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O=C(N(Cc1ccccc1)CCC(=O)Nc1cc(C)c(cc1)C)c1ncc(nc1)C

InChI:

InChI=1/C24H26N4O2/c1-17-9-10-21(13-18(17)2)27-23(29)11-12-28(16-20-7-5-4-6-8-20)24(30)22-15-25-19(3)14-26-22/h4-10,13-15H,11-12,16H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.961 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -3.96914	SlogP: 4.33946	Reactive groups: 0

Topological Properties
Globularity: 0.0683725	Sterimol/B1: 2.86185	Sterimol/B2: 3.73481	Sterimol/B3: 4.82487
Sterimol/B4: 9.89315	Sterimol/L: 18.1767

Surface and Volume Properties
Accessible surface: 717.938	Positive charged surface: 460.215	Negative charged surface: 257.722	Volume: 403.75
Hydrophobic surface: 631.9	Hydrophilic surface: 86.038

Pharmacophoric Properties
Hydrogen bond donors: 1	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.