MMsINC Database Search


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MMsINC code: MMs02908374

Type: Neutral
Formula: C₁₅H₁₀ClFN₂

SMILES:

Clc1cc(Nc2nc3c(cc2)cccc3)ccc1F

InChI:

InChI=1/C15H10ClFN2/c16-12-9-11(6-7-13(12)17)18-15-8-5-10-3-1-2-4-14(10)19-15/h1-9H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1238 kcal/mol

Physical Properties
Molecular Weight: 272.71 g/mol	logS: -4.93427	SlogP: 4.7709	Reactive groups: 0

Topological Properties
Globularity: 0.028422	Sterimol/B1: 2.44192	Sterimol/B2: 3.66062	Sterimol/B3: 3.96027
Sterimol/B4: 5.95488	Sterimol/L: 13.7189

Surface and Volume Properties
Accessible surface: 467.26	Positive charged surface: 210.101	Negative charged surface: 251.689	Volume: 240.75
Hydrophobic surface: 431.265	Hydrophilic surface: 35.995

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