MMsINC Database Search


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MMsINC code: MMs02216017

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O

SMILES:

Clc1ccc(cc1NC(=O)Nc1ccccc1Cl)C

InChI:

InChI=1/C14H12Cl2N2O/c1-9-6-7-11(16)13(8-9)18-14(19)17-12-5-3-2-4-10(12)15/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2551 kcal/mol

Physical Properties
Molecular Weight: 295.169 g/mol	logS: -5.19455	SlogP: 4.94582	Reactive groups: 0

Topological Properties
Globularity: 0.0478501	Sterimol/B1: 2.07281	Sterimol/B2: 3.09532	Sterimol/B3: 3.78439
Sterimol/B4: 7.75574	Sterimol/L: 14.3873

Surface and Volume Properties
Accessible surface: 505.606	Positive charged surface: 234.802	Negative charged surface: 270.803	Volume: 260.875
Hydrophobic surface: 461.422	Hydrophilic surface: 44.184

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.