MMsINC Database Search


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

MMsINC code: MMs01123551

Type: Neutral
Formula: C₁₇H₂₄N₂O₃

SMILES:

o1cc(cc1)C(=O)N1CCCCC1C(=O)NC1CCCCC1

InChI:

InChI=1/C17H24N2O3/c20-16(18-14-6-2-1-3-7-14)15-8-4-5-10-19(15)17(21)13-9-11-22-12-13/h9,11-12,14-15H,1-8,10H2,(H,18,20)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7715 kcal/mol

Physical Properties
Molecular Weight: 304.39 g/mol	logS: -3.42153	SlogP: 2.7232	Reactive groups: 0

Topological Properties
Globularity: 0.0834112	Sterimol/B1: 2.39463	Sterimol/B2: 2.93326	Sterimol/B3: 4.40102
Sterimol/B4: 8.40144	Sterimol/L: 14.4438

Surface and Volume Properties
Accessible surface: 550.047	Positive charged surface: 373.711	Negative charged surface: 176.335	Volume: 299.625
Hydrophobic surface: 493.669	Hydrophilic surface: 56.378

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.