MMsINC Database Search


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MMsINC code: MMs02719157

Type: Neutral
Formula: C₁₉H₁₆ClN₃O₂

SMILES:

Clc1cc(OC)ccc1Oc1c2c(nc3c1cccc3)n(nc2C)C

InChI:

InChI=1/C19H16ClN3O2/c1-11-17-18(25-16-9-8-12(24-3)10-14(16)20)13-6-4-5-7-15(13)21-19(17)23(2)22-11/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.937 kcal/mol

Physical Properties
Molecular Weight: 353.809 g/mol	logS: -6.26798	SlogP: 5.24342	Reactive groups: 0

Topological Properties
Globularity: 0.119995	Sterimol/B1: 2.44854	Sterimol/B2: 3.78028	Sterimol/B3: 5.31517
Sterimol/B4: 9.31249	Sterimol/L: 15.1378

Surface and Volume Properties
Accessible surface: 582.417	Positive charged surface: 358.923	Negative charged surface: 218.086	Volume: 325.5
Hydrophobic surface: 539.871	Hydrophilic surface: 42.546

Pharmacophoric Properties
Hydrogen bond donors: 0	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.