MMsINC Database Search


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

MMsINC code: MMs01040169

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)N(c2c1cccc2)Cc1cc(ccc1)C

InChI:

InChI=1/C23H20N2O2/c1-17-8-7-11-19(14-17)16-24-21-13-6-5-12-20(21)22(26)25(23(24)27)15-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9535 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.73564	SlogP: 5.31042	Reactive groups: 0

Topological Properties
Globularity: 0.0889129	Sterimol/B1: 3.63301	Sterimol/B2: 4.07265	Sterimol/B3: 5.297
Sterimol/B4: 6.77628	Sterimol/L: 16.4597

Surface and Volume Properties
Accessible surface: 602.762	Positive charged surface: 351.21	Negative charged surface: 251.552	Volume: 352.25
Hydrophobic surface: 547.751	Hydrophilic surface: 55.011

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.