MMsINC Database Search


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MMsINC code: MMs02629720

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)NNC(=O)CC

InChI:

InChI=1/C10H10Cl2N2O2/c1-2-9(15)13-14-10(16)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.967 kcal/mol

Physical Properties
Molecular Weight: 261.108 g/mol	logS: -3.49321	SlogP: 2.1644	Reactive groups: 0

Topological Properties
Globularity: 0.00897906	Sterimol/B1: 2.37558	Sterimol/B2: 2.37733	Sterimol/B3: 3.44463
Sterimol/B4: 5.63747	Sterimol/L: 15.9017

Surface and Volume Properties
Accessible surface: 457.596	Positive charged surface: 205.783	Negative charged surface: 251.813	Volume: 217.5
Hydrophobic surface: 344.113	Hydrophilic surface: 113.483

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.