MMsINC Database Search


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

MMsINC code: MMs00066132

Type: Neutral
Formula: C₂₂H₂₀N₂O₂

SMILES:

O=C(NCc1ccccc1)c1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C22H20N2O2/c25-21(23-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(26)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0508 kcal/mol

Physical Properties
Molecular Weight: 344.414 g/mol	logS: -5.21294	SlogP: 4.0794	Reactive groups: 0

Topological Properties
Globularity: 0.0477058	Sterimol/B1: 2.50489	Sterimol/B2: 3.61764	Sterimol/B3: 3.61841
Sterimol/B4: 8.8227	Sterimol/L: 17.0567

Surface and Volume Properties
Accessible surface: 656.735	Positive charged surface: 363.509	Negative charged surface: 293.226	Volume: 346.75
Hydrophobic surface: 562.938	Hydrophilic surface: 93.797

Pharmacophoric Properties
Hydrogen bond donors: 2	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.