MMsINC Database Search


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

MMsINC code: MMs02872180

Type: Neutral
Formula: C₂₃H₂₄ClNO₂

SMILES:

Clc1cc(cc(OC)c1OCc1ccccc1)CNc1cc(ccc1C)C

InChI:

InChI=1/C23H24ClNO2/c1-16-9-10-17(2)21(11-16)25-14-19-12-20(24)23(22(13-19)26-3)27-15-18-7-5-4-6-8-18/h4-13,25H,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.566 kcal/mol

Physical Properties
Molecular Weight: 381.903 g/mol	logS: -6.18658	SlogP: 6.68934	Reactive groups: 0

Topological Properties
Globularity: 0.072294	Sterimol/B1: 2.15601	Sterimol/B2: 5.16453	Sterimol/B3: 5.45428
Sterimol/B4: 7.15524	Sterimol/L: 20.4388

Surface and Volume Properties
Accessible surface: 694.4	Positive charged surface: 418.169	Negative charged surface: 276.231	Volume: 380.25
Hydrophobic surface: 670.097	Hydrophilic surface: 24.303

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.