MMsINC Database Search


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MMsINC code: MMs02215496

Type: Neutral
Formula: C₉H₁₀Cl₂N₂O

SMILES:

Clc1cc(Cl)ccc1NC(=O)N(C)C

InChI:

InChI=1/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-3-6(10)5-7(8)11/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)=26.6721 kcal/mol

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

Topological Properties
Globularity: 0.0345877	Sterimol/B1: 2.21417	Sterimol/B2: 2.66259	Sterimol/B3: 3.26821
Sterimol/B4: 6.03107	Sterimol/L: 13.3809

Surface and Volume Properties
Accessible surface: 416.757	Positive charged surface: 226.424	Negative charged surface: 190.333	Volume: 199.75
Hydrophobic surface: 384.541	Hydrophilic surface: 32.216

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.