MMsINC Database Search


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

MMsINC code: MMs02796224

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(C)c1ccccc1C(Nc1ccccc1OC)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C24H24N2O2/c1-16-23(17-10-4-6-12-19(17)25-16)24(18-11-5-8-14-21(18)27-2)26-20-13-7-9-15-22(20)28-3/h4-15,24-26H,1-3H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.316 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.42119	SlogP: 5.79052	Reactive groups: 0

Topological Properties
Globularity: 0.330105	Sterimol/B1: 2.41601	Sterimol/B2: 5.29919	Sterimol/B3: 7.48453
Sterimol/B4: 8.32319	Sterimol/L: 12.4668

Surface and Volume Properties
Accessible surface: 634.659	Positive charged surface: 425.016	Negative charged surface: 206.208	Volume: 379
Hydrophobic surface: 600.838	Hydrophilic surface: 33.821

Pharmacophoric Properties
Hydrogen bond donors: 2	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.