MMsINC Database Search


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MMsINC code: MMs01190680

Type: Neutral
Formula: C₁₉H₁₄ClN₃O₂

SMILES:

Clc1cc2nc(nc(Nc3ccc(OC)cc3)c2cc1)-c1occc1

InChI:

InChI=1/C19H14ClN3O2/c1-24-14-7-5-13(6-8-14)21-18-15-9-4-12(20)11-16(15)22-19(23-18)17-3-2-10-25-17/h2-11H,1H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6722 kcal/mol

Physical Properties
Molecular Weight: 351.793 g/mol	logS: -7.10378	SlogP: 5.2954	Reactive groups: 0

Topological Properties
Globularity: 0.0297453	Sterimol/B1: 2.53258	Sterimol/B2: 3.5693	Sterimol/B3: 4.95856
Sterimol/B4: 7.51611	Sterimol/L: 17.2873

Surface and Volume Properties
Accessible surface: 594.267	Positive charged surface: 316.506	Negative charged surface: 271.798	Volume: 319.75
Hydrophobic surface: 536.55	Hydrophilic surface: 57.717

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.