MMsINC Database Search


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MMsINC code: MMs00500591

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O

SMILES:

Clc1ccccc1NC(=O)Nc1ccccc1Cl

InChI:

InChI=1/C13H10Cl2N2O/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1385 kcal/mol

Physical Properties
Molecular Weight: 281.142 g/mol	logS: -4.72063	SlogP: 4.6374	Reactive groups: 0

Topological Properties
Globularity: 0.0358883	Sterimol/B1: 2.45255	Sterimol/B2: 2.56373	Sterimol/B3: 4.03288
Sterimol/B4: 6.08742	Sterimol/L: 14.3932

Surface and Volume Properties
Accessible surface: 477.533	Positive charged surface: 204.727	Negative charged surface: 272.806	Volume: 241.625
Hydrophobic surface: 435.21	Hydrophilic surface: 42.323

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.