MMsINC Database Search


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

MMsINC code: MMs03316182

Type: Neutral
Formula: C₂₃H₂₁NO₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)N(CC)c1ccccc1C

InChI:

InChI=1/C23H21NO2/c1-3-24(19-13-7-4-10-16(19)2)23(25)22-17-11-5-8-14-20(17)26-21-15-9-6-12-18(21)22/h4-15,22H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.204 kcal/mol

Physical Properties
Molecular Weight: 343.426 g/mol	logS: -5.98944	SlogP: 5.28572	Reactive groups: 0

Topological Properties
Globularity: 0.211579	Sterimol/B1: 2.56283	Sterimol/B2: 5.43989	Sterimol/B3: 6.19033
Sterimol/B4: 6.53936	Sterimol/L: 13.6524

Surface and Volume Properties
Accessible surface: 567.737	Positive charged surface: 311.691	Negative charged surface: 256.046	Volume: 344
Hydrophobic surface: 532.701	Hydrophilic surface: 35.036

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.