MMsINC Database Search


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MMsINC code: MMs02673727

Type: Neutral
Formula: C₁₁H₁₄Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1NC(=O)NCC(C)C

InChI:

InChI=1/C11H14Cl2N2O/c1-7(2)6-14-11(16)15-10-8(12)4-3-5-9(10)13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8841 kcal/mol

Physical Properties
Molecular Weight: 261.152 g/mol	logS: -3.62752	SlogP: 3.7709	Reactive groups: 0

Topological Properties
Globularity: 0.0593568	Sterimol/B1: 2.70242	Sterimol/B2: 3.60225	Sterimol/B3: 3.72121
Sterimol/B4: 5.64683	Sterimol/L: 14.747

Surface and Volume Properties
Accessible surface: 476.647	Positive charged surface: 243.229	Negative charged surface: 233.418	Volume: 235.875
Hydrophobic surface: 387.22	Hydrophilic surface: 89.427

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.