MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01169379

Type: Neutral
Formula: C₂₄H₃₆N₄O₂

SMILES:

O=C(N(Cc1n(ccc1)C)CC(C)C)CN(C(C)C)C(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C24H36N4O2/c1-7-20-10-12-21(13-11-20)25-24(30)28(19(4)5)17-23(29)27(15-18(2)3)16-22-9-8-14-26(22)6/h8-14,18-19H,7,15-17H2,1-6H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7934 kcal/mol

Physical Properties
Molecular Weight: 412.578 g/mol	logS: -4.02114	SlogP: 5.14017	Reactive groups: 0

Topological Properties
Globularity: 0.132168	Sterimol/B1: 2.3105	Sterimol/B2: 5.44335	Sterimol/B3: 6.4461
Sterimol/B4: 7.19652	Sterimol/L: 19.4869

Surface and Volume Properties
Accessible surface: 725.731	Positive charged surface: 491.884	Negative charged surface: 233.848	Volume: 435.625
Hydrophobic surface: 573.768	Hydrophilic surface: 151.963

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.