MMsINC Database Search


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

MMsINC code: MMs00446106

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

OC=1c2c(N(Cc3ccccc3)C(=O)C=1Cc1ccccc1)cccc2

InChI:

InChI=1/C23H19NO2/c25-22-19-13-7-8-14-21(19)24(16-18-11-5-2-6-12-18)23(26)20(22)15-17-9-3-1-4-10-17/h1-14,25H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0208 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -5.39014	SlogP: 5.01157	Reactive groups: 0

Topological Properties
Globularity: 0.11393	Sterimol/B1: 2.57509	Sterimol/B2: 4.30013	Sterimol/B3: 5.04363
Sterimol/B4: 7.71241	Sterimol/L: 15.3047

Surface and Volume Properties
Accessible surface: 581.771	Positive charged surface: 337.194	Negative charged surface: 244.577	Volume: 339.75
Hydrophobic surface: 534.97	Hydrophilic surface: 46.801

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.