MMsINC Database Search


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

MMsINC code: MMs02732244

Type: Neutral
Formula: C₂₄H₁₈Cl₂N₂O

SMILES:

Clc1ccccc1C(=O)N1CCc2c([nH]c3c2cccc3)C1c1ccc(Cl)cc1

InChI:

InChI=1/C24H18Cl2N2O/c25-16-11-9-15(10-12-16)23-22-18(17-5-2-4-8-21(17)27-22)13-14-28(23)24(29)19-6-1-3-7-20(19)26/h1-12,23,27H,13-14H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.233 kcal/mol

Physical Properties
Molecular Weight: 421.327 g/mol	logS: -7.05609	SlogP: 6.35807	Reactive groups: 0

Topological Properties
Globularity: 0.282989	Sterimol/B1: 4.23771	Sterimol/B2: 5.15675	Sterimol/B3: 5.41115
Sterimol/B4: 8.78446	Sterimol/L: 14.846

Surface and Volume Properties
Accessible surface: 629.932	Positive charged surface: 291.164	Negative charged surface: 333.913	Volume: 379.375
Hydrophobic surface: 589.814	Hydrophilic surface: 40.118

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.