MMsINC Database Search


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MMsINC code: MMs03019435

Type: Neutral
Formula: C₁₁H₁₆Cl₂N₂O

SMILES:

Clc1cc(cc(Cl)c1N)C(O)CNCCC

InChI:

InChI=1/C11H16Cl2N2O/c1-2-3-15-6-10(16)7-4-8(12)11(14)9(13)5-7/h4-5,10,15-16H,2-3,6,14H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6979 kcal/mol

Physical Properties
Molecular Weight: 263.168 g/mol	logS: -2.64128	SlogP: 2.7041	Reactive groups: 0

Topological Properties
Globularity: 0.0655497	Sterimol/B1: 2.26535	Sterimol/B2: 4.48932	Sterimol/B3: 4.56194
Sterimol/B4: 4.7898	Sterimol/L: 15.5098

Surface and Volume Properties
Accessible surface: 487.297	Positive charged surface: 274.982	Negative charged surface: 212.315	Volume: 238.25
Hydrophobic surface: 366.686	Hydrophilic surface: 120.611

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03019436
PUBCHEM-ZINC03602696