MMsINC Database Search


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MMsINC code: MMs00019360

Type: Neutral
Formula: C₉H₁₀Cl₂N₂O

SMILES:

Clc1cc(NC(=O)N(C)C)ccc1Cl

InChI:

InChI=1/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.3121 kcal/mol

Physical Properties
Molecular Weight: 233.098 g/mol	logS: -2.79078	SlogP: 3.0869	Reactive groups: 0

Topological Properties
Globularity: 0.0349083	Sterimol/B1: 2.51077	Sterimol/B2: 2.7682	Sterimol/B3: 2.98406
Sterimol/B4: 5.27918	Sterimol/L: 13.5068

Surface and Volume Properties
Accessible surface: 419.047	Positive charged surface: 234.686	Negative charged surface: 184.361	Volume: 199.625
Hydrophobic surface: 384.265	Hydrophilic surface: 34.782

Pharmacophoric Properties
Hydrogen bond donors: 1	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.