MMsINC Database Search


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MMsINC code: MMs03243421

Type: Neutral
Formula: C₁₈H₁₃ClN₄O₂

SMILES:

Clc1cc2nc(oc2cc1)-c1cnc(nc1)Nc1ccccc1OC

InChI:

InChI=1/C18H13ClN4O2/c1-24-15-5-3-2-4-13(15)23-18-20-9-11(10-21-18)17-22-14-8-12(19)6-7-16(14)25-17/h2-10H,1H3,(H,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4173 kcal/mol

Physical Properties
Molecular Weight: 352.781 g/mol	logS: -6.61014	SlogP: 4.6904	Reactive groups: 0

Topological Properties
Globularity: 0.0179956	Sterimol/B1: 2.37533	Sterimol/B2: 2.52643	Sterimol/B3: 3.92185
Sterimol/B4: 6.37459	Sterimol/L: 19.2139

Surface and Volume Properties
Accessible surface: 592.919	Positive charged surface: 373.04	Negative charged surface: 219.879	Volume: 311.75
Hydrophobic surface: 500.971	Hydrophilic surface: 91.948

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.