MMsINC Database Search


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

MMsINC code: MMs03879107

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

o1c2c(nc1-c1ccccc1NC(=O)\C=C\c1ccc(OC)cc1)cc(cc2)C

InChI:

InChI=1/C24H20N2O3/c1-16-7-13-22-21(15-16)26-24(29-22)19-5-3-4-6-20(19)25-23(27)14-10-17-8-11-18(28-2)12-9-17/h3-15H,1-2H3,(H,25,27)/b14-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.566 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -7.70066	SlogP: 5.46372	Reactive groups: 0

Topological Properties
Globularity: 0.0198917	Sterimol/B1: 2.34843	Sterimol/B2: 2.71212	Sterimol/B3: 3.60133
Sterimol/B4: 12.1814	Sterimol/L: 17.6755

Surface and Volume Properties
Accessible surface: 687.029	Positive charged surface: 412.628	Negative charged surface: 274.401	Volume: 375
Hydrophobic surface: 609.907	Hydrophilic surface: 77.122

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.