MMsINC Database Search


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

MMsINC code: MMs00539195

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C(C(=O)NCCc1ccccc1)c1c2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H20N2O2/c27-23(24(28)25-16-15-17-9-3-1-4-10-17)21-19-13-7-8-14-20(19)26-22(21)18-11-5-2-6-12-18/h1-14,26H,15-16H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0016 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.37681	SlogP: 4.37647	Reactive groups: 0

Topological Properties
Globularity: 0.0683079	Sterimol/B1: 2.38207	Sterimol/B2: 5.23692	Sterimol/B3: 5.82412
Sterimol/B4: 7.71223	Sterimol/L: 17.5092

Surface and Volume Properties
Accessible surface: 669.67	Positive charged surface: 364.09	Negative charged surface: 300.456	Volume: 366.375
Hydrophobic surface: 586.538	Hydrophilic surface: 83.132

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.