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MMsINC code: MMs01704205

Type: Neutral
Formula: C₁₆H₁₆Cl₃N₃O

SMILES:

Clc1c(Cl)c(Cl)cnc1C(=O)NCc1ccccc1CN(C)C

InChI:

InChI=1/C16H16Cl3N3O/c1-22(2)9-11-6-4-3-5-10(11)7-21-16(23)15-14(19)13(18)12(17)8-20-15/h3-6,8H,7,9H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1878 kcal/mol

Physical Properties
Molecular Weight: 372.683 g/mol	logS: -4.26801	SlogP: 4.5662	Reactive groups: 0

Topological Properties
Globularity: 0.130521	Sterimol/B1: 3.52578	Sterimol/B2: 4.12081	Sterimol/B3: 4.38784
Sterimol/B4: 7.40913	Sterimol/L: 14.9097

Surface and Volume Properties
Accessible surface: 589.38	Positive charged surface: 333.164	Negative charged surface: 256.217	Volume: 322.125
Hydrophobic surface: 534.482	Hydrophilic surface: 54.898

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01704206
ENAMINE-ZINC06847235