MMsINC Database Search


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MMsINC code: MMs02673742

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1NC(=O)N(CC)c1ccccc1

InChI:

InChI=1/C15H14Cl2N2O/c1-2-19(11-7-4-3-5-8-11)15(20)18-14-12(16)9-6-10-13(14)17/h3-10H,2H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.1906 kcal/mol

Physical Properties
Molecular Weight: 309.196 g/mol	logS: -4.94185	SlogP: 5.0518	Reactive groups: 0

Topological Properties
Globularity: 0.125909	Sterimol/B1: 2.24068	Sterimol/B2: 2.5699	Sterimol/B3: 5.30221
Sterimol/B4: 6.55397	Sterimol/L: 14.3901

Surface and Volume Properties
Accessible surface: 509.123	Positive charged surface: 243.89	Negative charged surface: 265.233	Volume: 278
Hydrophobic surface: 466.389	Hydrophilic surface: 42.734

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

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Ions/Tautomers related molecules: no related molecules available.