MMsINC Database Search


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MMsINC code: MMs02137668

Type: Neutral
Formula: C₁₁H₈Cl₂N₂O

SMILES:

Clc1cc(Cl)ccc1Oc1ncccc1N

InChI:

InChI=1/C11H8Cl2N2O/c12-7-3-4-10(8(13)6-7)16-11-9(14)2-1-5-15-11/h1-6H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.617 kcal/mol

Physical Properties
Molecular Weight: 255.104 g/mol	logS: -3.41017	SlogP: 3.7629	Reactive groups: 0

Topological Properties
Globularity: 0.136412	Sterimol/B1: 2.88078	Sterimol/B2: 3.71281	Sterimol/B3: 4.63763
Sterimol/B4: 5.61856	Sterimol/L: 13.4294

Surface and Volume Properties
Accessible surface: 437.551	Positive charged surface: 213.084	Negative charged surface: 224.467	Volume: 214.25
Hydrophobic surface: 374.515	Hydrophilic surface: 63.036

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.