MMsINC Database Search


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

MMsINC code: MMs03122567

Type: Neutral
Formula: C₂₄H₂₉N₃O₃

SMILES:

o1cccc1CN(Cc1n(ccc1)C)C(=O)CN(C(C)C)C(=O)Cc1ccccc1

InChI:

InChI=1/C24H29N3O3/c1-19(2)27(23(28)15-20-9-5-4-6-10-20)18-24(29)26(17-22-12-8-14-30-22)16-21-11-7-13-25(21)3/h4-14,19H,15-18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3797 kcal/mol

Physical Properties
Molecular Weight: 407.514 g/mol	logS: -3.98501	SlogP: 4.51857	Reactive groups: 0

Topological Properties
Globularity: 0.124775	Sterimol/B1: 2.14476	Sterimol/B2: 3.88508	Sterimol/B3: 6.01088
Sterimol/B4: 9.66396	Sterimol/L: 16.8837

Surface and Volume Properties
Accessible surface: 683.41	Positive charged surface: 415.848	Negative charged surface: 267.562	Volume: 413.375
Hydrophobic surface: 578.931	Hydrophilic surface: 104.479

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.