MMsINC Database Search


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MMsINC code: MMs01343768

Type: Neutral
Formula: C₁₄H₁₁ClN₂O₂

SMILES:

Clc1cc2nc(oc2cc1)Nc1ccccc1OC

InChI:

InChI=1/C14H11ClN2O2/c1-18-12-5-3-2-4-10(12)16-14-17-11-8-9(15)6-7-13(11)19-14/h2-8H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3676 kcal/mol

Physical Properties
Molecular Weight: 274.707 g/mol	logS: -5.02162	SlogP: 4.2334	Reactive groups: 0

Topological Properties
Globularity: 0.0072931	Sterimol/B1: 2.37924	Sterimol/B2: 2.5502	Sterimol/B3: 2.55321
Sterimol/B4: 6.62225	Sterimol/L: 15.6601

Surface and Volume Properties
Accessible surface: 482.603	Positive charged surface: 273.317	Negative charged surface: 209.285	Volume: 243.25
Hydrophobic surface: 416.278	Hydrophilic surface: 66.325

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.