MMsINC Database Search


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

MMsINC code: MMs02673058

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O

SMILES:

Clc1cc(NC(=O)Nc2cc(Cl)ccc2)c(cc1)C

InChI:

InChI=1/C14H12Cl2N2O/c1-9-5-6-11(16)8-13(9)18-14(19)17-12-4-2-3-10(15)7-12/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0098 kcal/mol

Physical Properties
Molecular Weight: 295.169 g/mol	logS: -4.8811	SlogP: 4.94582	Reactive groups: 0

Topological Properties
Globularity: 0.0474636	Sterimol/B1: 2.09623	Sterimol/B2: 2.71509	Sterimol/B3: 4.02656
Sterimol/B4: 7.82146	Sterimol/L: 15.2885

Surface and Volume Properties
Accessible surface: 506.723	Positive charged surface: 224.361	Negative charged surface: 282.361	Volume: 258.875
Hydrophobic surface: 458.906	Hydrophilic surface: 47.817

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.