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MMsINC code: MMs00851233

Type: Neutral
Formula: C₁₅H₁₅Cl₂N₃O₂

SMILES:

Clc1cc(ccc1Cl)-c1onc(c1)C(=O)N1CCN(CC1)C

InChI:

InChI=1/C15H15Cl2N3O2/c1-19-4-6-20(7-5-19)15(21)13-9-14(22-18-13)10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.969 kcal/mol

Physical Properties
Molecular Weight: 340.21 g/mol	logS: -4.13478	SlogP: 3.036	Reactive groups: 0

Topological Properties
Globularity: 0.0292733	Sterimol/B1: 2.54658	Sterimol/B2: 2.81173	Sterimol/B3: 4.00851
Sterimol/B4: 5.36317	Sterimol/L: 18.4416

Surface and Volume Properties
Accessible surface: 547.671	Positive charged surface: 311.4	Negative charged surface: 236.271	Volume: 293
Hydrophobic surface: 491.242	Hydrophilic surface: 56.429

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00851234
CHEMDIV-ZINC00425699