MMsINC Database Search


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

MMsINC code: MMs03640364

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(C)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)N1C(CCCC1C)C

InChI:

InChI=1/C24H26N2O2/c1-16-8-6-9-17(2)26(16)24(27)21-15-23(18-10-7-11-19(14-18)28-3)25-22-13-5-4-12-20(21)22/h4-5,7,10-17H,6,8-9H2,1-3H3/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.211 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.86769	SlogP: 5.3135	Reactive groups: 0

Topological Properties
Globularity: 0.07702	Sterimol/B1: 2.03948	Sterimol/B2: 4.03961	Sterimol/B3: 4.08106
Sterimol/B4: 10.2982	Sterimol/L: 17.0727

Surface and Volume Properties
Accessible surface: 630.524	Positive charged surface: 408.135	Negative charged surface: 212.888	Volume: 377.625
Hydrophobic surface: 552.795	Hydrophilic surface: 77.729

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.