MMsINC Database Search


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

MMsINC code: MMs02285614

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O(C)c1ccc(N2NC(C(C)C2=O)(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C23H22N2O2/c1-17-22(26)25(20-13-15-21(27-2)16-14-20)24-23(17,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,24H,1-2H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.325 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -4.99698	SlogP: 4.4378	Reactive groups: 0

Topological Properties
Globularity: 0.149986	Sterimol/B1: 2.50898	Sterimol/B2: 3.77544	Sterimol/B3: 6.40802
Sterimol/B4: 7.81667	Sterimol/L: 16.7042

Surface and Volume Properties
Accessible surface: 610.373	Positive charged surface: 364.549	Negative charged surface: 245.823	Volume: 356.625
Hydrophobic surface: 550.372	Hydrophilic surface: 60.001

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.