MMsINC Database Search


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MMsINC code: MMs02673456

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O

SMILES:

Clc1c(NC(=O)NCc2ccccc2)cccc1Cl

InChI:

InChI=1/C14H12Cl2N2O/c15-11-7-4-8-12(13(11)16)18-14(19)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.992 kcal/mol

Physical Properties
Molecular Weight: 295.169 g/mol	logS: -4.66467	SlogP: 4.5815	Reactive groups: 0

Topological Properties
Globularity: 0.0453711	Sterimol/B1: 3.05738	Sterimol/B2: 3.70401	Sterimol/B3: 4.23459
Sterimol/B4: 4.40898	Sterimol/L: 16.3598

Surface and Volume Properties
Accessible surface: 519.037	Positive charged surface: 241.558	Negative charged surface: 277.48	Volume: 259.625
Hydrophobic surface: 456.266	Hydrophilic surface: 62.771

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

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Ions/Tautomers related molecules: no related molecules available.