MMsINC Database Search


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

MMsINC code: MMs00638774

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(C(CC)C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C24H25NO2/c1-2-23(27-22-16-10-5-11-17-22)24(26)25(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h3-17,23H,2,18-19H2,1H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.203 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -5.56662	SlogP: 5.6058	Reactive groups: 0

Topological Properties
Globularity: 0.160864	Sterimol/B1: 3.54073	Sterimol/B2: 4.18892	Sterimol/B3: 6.03094
Sterimol/B4: 6.92997	Sterimol/L: 14.2577

Surface and Volume Properties
Accessible surface: 615.01	Positive charged surface: 360.187	Negative charged surface: 254.822	Volume: 373.125
Hydrophobic surface: 566.871	Hydrophilic surface: 48.139

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.