MMsINC Database Search


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

MMsINC code: MMs02612744

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C(N1c2c(CC1)cccc2NC(=O)C(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C24H22N2O2/c1-17(27)26-16-15-20-13-8-14-21(23(20)26)25-24(28)22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,22H,15-16H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.034 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -5.34613	SlogP: 4.36617	Reactive groups: 0

Topological Properties
Globularity: 0.209738	Sterimol/B1: 2.86069	Sterimol/B2: 3.03022	Sterimol/B3: 6.73273
Sterimol/B4: 8.34655	Sterimol/L: 13.5164

Surface and Volume Properties
Accessible surface: 616.359	Positive charged surface: 385.598	Negative charged surface: 230.761	Volume: 366
Hydrophobic surface: 582.382	Hydrophilic surface: 33.977

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.