MMsINC Database Search


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MMsINC code: MMs02677534

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O

SMILES:

Clc1ccc(cc1)CNC(=O)Nc1ccc(Cl)cc1

InChI:

InChI=1/C14H12Cl2N2O/c15-11-3-1-10(2-4-11)9-17-14(19)18-13-7-5-12(16)6-8-13/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)=29.3903 kcal/mol

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

Topological Properties
Globularity: 0.0441346	Sterimol/B1: 2.59222	Sterimol/B2: 2.6265	Sterimol/B3: 4.04316
Sterimol/B4: 4.82273	Sterimol/L: 18.6159

Surface and Volume Properties
Accessible surface: 527.688	Positive charged surface: 239.256	Negative charged surface: 288.432	Volume: 259.625
Hydrophobic surface: 458.887	Hydrophilic surface: 68.801

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.