MMsINC Database Search


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

MMsINC code: MMs03173085

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1cccc1CN(C(=O)c1ccc(cc1)-c1ccccc1)Cc1n(ccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=299.115 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -5.62892	SlogP: 6.0197	Reactive groups: 0

Topological Properties
Globularity: 0.0764654	Sterimol/B1: 2.99588	Sterimol/B2: 3.46627	Sterimol/B3: 4.81757
Sterimol/B4: 5.93992	Sterimol/L: 17.4204

Surface and Volume Properties
Accessible surface: 607.721	Positive charged surface: 343.103	Negative charged surface: 254.976	Volume: 366.125
Hydrophobic surface: 547.357	Hydrophilic surface: 60.364

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.