MMsINC Database Search


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MMsINC code: MMs00103634

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₄O₂

SMILES:

Clc1ccccc1Cn1c2c(nc1Cl)N(C)C(=O)N(C)C2=O

InChI:

InChI=1/C14H12Cl2N4O2/c1-18-11-10(12(21)19(2)14(18)22)20(13(16)17-11)7-8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.0501 kcal/mol

Physical Properties
Molecular Weight: 339.182 g/mol	logS: -4.52655	SlogP: 3.1464	Reactive groups: 0

Topological Properties
Globularity: 0.126169	Sterimol/B1: 2.47394	Sterimol/B2: 3.88146	Sterimol/B3: 4.86713
Sterimol/B4: 6.57133	Sterimol/L: 12.8056

Surface and Volume Properties
Accessible surface: 502.513	Positive charged surface: 293.673	Negative charged surface: 208.841	Volume: 280
Hydrophobic surface: 401.496	Hydrophilic surface: 101.017

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: no related molecules available.