MMsINC Database Search


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MMsINC code: MMs02162162

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1NC(=O)C(=O)NCc1occc1

InChI:

InChI=1/C13H10Cl2N2O3/c14-8-3-4-11(10(15)6-8)17-13(19)12(18)16-7-9-2-1-5-20-9/h1-6H,7H2,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9921 kcal/mol

Physical Properties
Molecular Weight: 313.14 g/mol	logS: -4.74759	SlogP: 3.1077	Reactive groups: 0

Topological Properties
Globularity: 0.0344242	Sterimol/B1: 2.64021	Sterimol/B2: 3.31112	Sterimol/B3: 3.73862
Sterimol/B4: 5.67971	Sterimol/L: 16.9438

Surface and Volume Properties
Accessible surface: 526.199	Positive charged surface: 211.676	Negative charged surface: 314.523	Volume: 257.625
Hydrophobic surface: 417.263	Hydrophilic surface: 108.936

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.