MMsINC Database Search


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MMsINC code: MMs02992553

Type: Neutral
Formula: C₁₀H₁₁Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1C(=O)NCCOC

InChI:

InChI=1/C10H11Cl2NO2/c1-15-5-4-13-10(14)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.4272 kcal/mol

Physical Properties
Molecular Weight: 248.109 g/mol	logS: -3.14223	SlogP: 2.3696	Reactive groups: 0

Topological Properties
Globularity: 0.0288471	Sterimol/B1: 2.34624	Sterimol/B2: 2.91034	Sterimol/B3: 3.35225
Sterimol/B4: 6.13408	Sterimol/L: 14.3424

Surface and Volume Properties
Accessible surface: 456.126	Positive charged surface: 252.133	Negative charged surface: 203.994	Volume: 214.375
Hydrophobic surface: 416.246	Hydrophilic surface: 39.88

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.