MMsINC Database Search


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MMsINC code: MMs02096136

Type: Neutral
Formula: C₁₁H₁₀Cl₂N₄O

SMILES:

Clc1cc(-n2nc(nc2C)C(=O)NC)cc(Cl)c1

InChI:

InChI=1/C11H10Cl2N4O/c1-6-15-10(11(18)14-2)16-17(6)9-4-7(12)3-8(13)5-9/h3-5H,1-2H3,(H,14,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0166 kcal/mol

Physical Properties
Molecular Weight: 285.134 g/mol	logS: -3.14007	SlogP: 2.24212	Reactive groups: 0

Topological Properties
Globularity: 0.0367929	Sterimol/B1: 2.13847	Sterimol/B2: 2.39971	Sterimol/B3: 4.15577
Sterimol/B4: 7.82054	Sterimol/L: 14.8792

Surface and Volume Properties
Accessible surface: 491.581	Positive charged surface: 237.554	Negative charged surface: 254.026	Volume: 239.125
Hydrophobic surface: 395.228	Hydrophilic surface: 96.353

Pharmacophoric Properties
Hydrogen bond donors: 1	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.