MMsINC Database Search


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

MMsINC code: MMs00936081

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(c2cc(cc(c2)C)C)C(=O)N(c2c1cccc2)Cc1ccc(cc1)C

InChI:

InChI=1/C24H22N2O2/c1-16-8-10-19(11-9-16)15-25-22-7-5-4-6-21(22)23(27)26(24(25)28)20-13-17(2)12-18(3)14-20/h4-14H,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.984 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.73944	SlogP: 5.66526	Reactive groups: 0

Topological Properties
Globularity: 0.135613	Sterimol/B1: 2.31018	Sterimol/B2: 3.69086	Sterimol/B3: 4.92188
Sterimol/B4: 10.1019	Sterimol/L: 15.3998

Surface and Volume Properties
Accessible surface: 647.261	Positive charged surface: 382.085	Negative charged surface: 265.176	Volume: 371.375
Hydrophobic surface: 591.11	Hydrophilic surface: 56.151

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.