MMsINC Database Search


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

MMsINC code: MMs02957109

Type: Neutral
Formula: C₂₃H₂₀Cl₃NO₂

SMILES:

ClC(Cl)(Cl)C(NC(Oc1ccc(cc1C)-c1ccc(cc1)C)=O)c1ccccc1

InChI:

InChI=1/C23H20Cl3NO2/c1-15-8-10-17(11-9-15)19-12-13-20(16(2)14-19)29-22(28)27-21(23(24,25)26)18-6-4-3-5-7-18/h3-14,21H,1-2H3,(H,27,28)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.385 kcal/mol

Physical Properties
Molecular Weight: 448.777 g/mol	logS: -8.80869	SlogP: 7.68574	Reactive groups: 0

Topological Properties
Globularity: 0.0379556	Sterimol/B1: 3.86646	Sterimol/B2: 4.05833	Sterimol/B3: 4.30348
Sterimol/B4: 5.26565	Sterimol/L: 20.9415

Surface and Volume Properties
Accessible surface: 697.164	Positive charged surface: 303.55	Negative charged surface: 383.326	Volume: 399.875
Hydrophobic surface: 530.933	Hydrophilic surface: 166.231

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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.