MMsINC Database Search


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MMsINC code: MMs02134122

Type: Neutral
Formula: C₁₄H₁₅Cl₂N₃O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1NC(=O)NC(C)C

InChI:

InChI=1/C14H15Cl2N3O2/c1-7(2)17-14(20)18-12-8(3)21-19-13(12)11-9(15)5-4-6-10(11)16/h4-7H,1-3H3,(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1074 kcal/mol

Physical Properties
Molecular Weight: 328.199 g/mol	logS: -4.90611	SlogP: 4.48672	Reactive groups: 0

Topological Properties
Globularity: 0.125625	Sterimol/B1: 2.36323	Sterimol/B2: 4.16389	Sterimol/B3: 4.29851
Sterimol/B4: 8.31298	Sterimol/L: 12.4054

Surface and Volume Properties
Accessible surface: 507.731	Positive charged surface: 263.475	Negative charged surface: 244.256	Volume: 282.75
Hydrophobic surface: 415.912	Hydrophilic surface: 91.819

Pharmacophoric Properties
Hydrogen bond donors: 2	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.