MMsINC Database Search


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MMsINC code: MMs00180330

Type: Neutral
Formula: C₁₈H₁₅ClFN₃O₂

SMILES:

Clc1cccc(F)c1CNc1ncc(n1C)-c1cc2OCOc2cc1

InChI:

InChI=1/C18H15ClFN3O2/c1-23-15(11-5-6-16-17(7-11)25-10-24-16)9-22-18(23)21-8-12-13(19)3-2-4-14(12)20/h2-7,9H,8,10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1374 kcal/mol

Physical Properties
Molecular Weight: 359.788 g/mol	logS: -5.42876	SlogP: 4.846	Reactive groups: 0

Topological Properties
Globularity: 0.041236	Sterimol/B1: 2.58735	Sterimol/B2: 3.98568	Sterimol/B3: 4.3983
Sterimol/B4: 5.8579	Sterimol/L: 18.0869

Surface and Volume Properties
Accessible surface: 582.659	Positive charged surface: 346.806	Negative charged surface: 235.853	Volume: 315
Hydrophobic surface: 489.848	Hydrophilic surface: 92.811

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.