MMsINC Database Search


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MMsINC code: MMs02674511

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1NC(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C14H12Cl2N2O/c1-9-5-7-10(8-6-9)17-14(19)18-13-11(15)3-2-4-12(13)16/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)=78.9799 kcal/mol

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

Topological Properties
Globularity: 0.0507048	Sterimol/B1: 2.83213	Sterimol/B2: 3.49671	Sterimol/B3: 4.28226
Sterimol/B4: 5.28814	Sterimol/L: 15.5252

Surface and Volume Properties
Accessible surface: 503.586	Positive charged surface: 240.044	Negative charged surface: 263.542	Volume: 259.25
Hydrophobic surface: 458.284	Hydrophilic surface: 45.302

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.