MMsINC Database Search


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

MMsINC code: MMs01154081

Type: Neutral
Formula: C₁₉H₃₂N₂O₃

SMILES:

o1c(C)c(cc1C)C(=O)N(CCC(C)C)CCC(=O)NC(CC)C

InChI:

InChI=1/C19H32N2O3/c1-7-14(4)20-18(22)9-11-21(10-8-13(2)3)19(23)17-12-15(5)24-16(17)6/h12-14H,7-11H2,1-6H3,(H,20,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0513 kcal/mol

Physical Properties
Molecular Weight: 336.476 g/mol	logS: -4.12055	SlogP: 3.68954	Reactive groups: 0

Topological Properties
Globularity: 0.0667309	Sterimol/B1: 2.73583	Sterimol/B2: 4.23151	Sterimol/B3: 5.33521
Sterimol/B4: 6.9983	Sterimol/L: 16.0707

Surface and Volume Properties
Accessible surface: 635.002	Positive charged surface: 436.791	Negative charged surface: 198.211	Volume: 358.5
Hydrophobic surface: 500.245	Hydrophilic surface: 134.757

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.