MMsINC Database Search


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MMsINC code: MMs01271537

Type: Neutral
Formula: C₁₄H₁₀Cl₂N₂O₂

SMILES:

Clc1cc(Nc2oc3c(n2)cc(Cl)cc3)ccc1OC

InChI:

InChI=1/C14H10Cl2N2O2/c1-19-12-5-3-9(7-10(12)16)17-14-18-11-6-8(15)2-4-13(11)20-14/h2-7H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0819 kcal/mol

Physical Properties
Molecular Weight: 309.152 g/mol	logS: -5.75591	SlogP: 4.8868	Reactive groups: 0

Topological Properties
Globularity: 0.0187649	Sterimol/B1: 2.17997	Sterimol/B2: 2.54164	Sterimol/B3: 3.32114
Sterimol/B4: 6.46309	Sterimol/L: 16.5443

Surface and Volume Properties
Accessible surface: 513.349	Positive charged surface: 257.412	Negative charged surface: 255.937	Volume: 259.25
Hydrophobic surface: 442.679	Hydrophilic surface: 70.67

Pharmacophoric Properties
Hydrogen bond donors: 1	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.