MMsINC Database Search


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MMsINC code: MMs01521639

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1CNC(=O)c1c(noc1C)-c1ccccc1

InChI:

InChI=1/C18H14Cl2N2O2/c1-11-16(17(22-24-11)12-5-3-2-4-6-12)18(23)21-10-13-7-8-14(19)9-15(13)20/h2-9H,10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7368 kcal/mol

Physical Properties
Molecular Weight: 361.228 g/mol	logS: -6.12241	SlogP: 5.15322	Reactive groups: 0

Topological Properties
Globularity: 0.074627	Sterimol/B1: 2.40166	Sterimol/B2: 3.49672	Sterimol/B3: 4.21519
Sterimol/B4: 9.74917	Sterimol/L: 15.5616

Surface and Volume Properties
Accessible surface: 562.11	Positive charged surface: 236.059	Negative charged surface: 326.051	Volume: 318.5
Hydrophobic surface: 492.32	Hydrophilic surface: 69.79

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

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Ions/Tautomers related molecules: no related molecules available.