MMsINC Database Search


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MMsINC code: MMs00076614

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NC(C)C

InChI:

InChI=1/C14H14Cl2N2O2/c1-7(2)17-14(19)11-8(3)20-18-13(11)12-9(15)5-4-6-10(12)16/h4-7H,1-3H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3031 kcal/mol

Physical Properties
Molecular Weight: 313.184 g/mol	logS: -5.00893	SlogP: 4.09502	Reactive groups: 0

Topological Properties
Globularity: 0.17307	Sterimol/B1: 2.54738	Sterimol/B2: 4.61485	Sterimol/B3: 4.69763
Sterimol/B4: 8.50423	Sterimol/L: 12.0964

Surface and Volume Properties
Accessible surface: 510.538	Positive charged surface: 240.518	Negative charged surface: 270.02	Volume: 274.5
Hydrophobic surface: 430.374	Hydrophilic surface: 80.164

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.