MMsINC Database Search


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

MMsINC code: MMs01319958

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(OCC(=O)N1CCc2c1cccc2)=O

InChI:

InChI=1/C24H19NO4/c26-22(25-14-13-16-7-1-4-10-19(16)25)15-28-24(27)23-17-8-2-5-11-20(17)29-21-12-6-3-9-18(21)23/h1-12,23H,13-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.645 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -6.0938	SlogP: 4.05667	Reactive groups: 0

Topological Properties
Globularity: 0.0724782	Sterimol/B1: 2.7826	Sterimol/B2: 3.0239	Sterimol/B3: 4.98417
Sterimol/B4: 8.60751	Sterimol/L: 16.1184

Surface and Volume Properties
Accessible surface: 645.553	Positive charged surface: 381.188	Negative charged surface: 264.365	Volume: 362.25
Hydrophobic surface: 586.494	Hydrophilic surface: 59.059

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.