MMsINC Database Search


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MMsINC code: MMs02674537

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O

SMILES:

Clc1cccc(C)c1NC(=O)Nc1ccccc1Cl

InChI:

InChI=1/C14H12Cl2N2O/c1-9-5-4-7-11(16)13(9)18-14(19)17-12-8-3-2-6-10(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)=93.1015 kcal/mol

Physical Properties
Molecular Weight: 295.169 g/mol	logS: -4.8811	SlogP: 4.94582	Reactive groups: 0

Topological Properties
Globularity: 0.0686954	Sterimol/B1: 2.18755	Sterimol/B2: 2.60652	Sterimol/B3: 4.74358
Sterimol/B4: 6.47413	Sterimol/L: 14.3258

Surface and Volume Properties
Accessible surface: 487.733	Positive charged surface: 229.288	Negative charged surface: 258.445	Volume: 257.5
Hydrophobic surface: 453.856	Hydrophilic surface: 33.877

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.