MMsINC Database Search


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

MMsINC code: MMs02293739

Type: Neutral
Formula: C₁₆H₁₀Cl₂N₂O

SMILES:

Clc1cc(Cl)cc2[nH]c-3c(CC(=O)Nc4c-3cccc4)c12

InChI:

InChI=1/C16H10Cl2N2O/c17-8-5-11(18)15-10-7-14(21)19-12-4-2-1-3-9(12)16(10)20-13(15)6-8/h1-6,20H,7H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.444 kcal/mol

Physical Properties
Molecular Weight: 317.175 g/mol	logS: -5.9245	SlogP: 4.63627	Reactive groups: 0

Topological Properties
Globularity: 0.0468934	Sterimol/B1: 2.41164	Sterimol/B2: 2.56788	Sterimol/B3: 3.42751
Sterimol/B4: 7.06342	Sterimol/L: 14.9019

Surface and Volume Properties
Accessible surface: 490.944	Positive charged surface: 204.393	Negative charged surface: 281.309	Volume: 267.375
Hydrophobic surface: 403.815	Hydrophilic surface: 87.129

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.