MMsINC Database Search


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MMsINC code: MMs02139991

Type: Neutral
Formula: C₁₀H₇ClFN₃

SMILES:

Clc1cccc(-c2nc(ncc2)N)c1F

InChI:

InChI=1/C10H7ClFN3/c11-7-3-1-2-6(9(7)12)8-4-5-14-10(13)15-8/h1-5H,(H2,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.1287 kcal/mol

Physical Properties
Molecular Weight: 223.638 g/mol	logS: -4.03481	SlogP: 2.5183	Reactive groups: 0

Topological Properties
Globularity: 0.000831239	Sterimol/B1: 2.097	Sterimol/B2: 2.24197	Sterimol/B3: 3.25956
Sterimol/B4: 6.02554	Sterimol/L: 12.0202

Surface and Volume Properties
Accessible surface: 391.608	Positive charged surface: 205.105	Negative charged surface: 180.967	Volume: 188.625
Hydrophobic surface: 285.531	Hydrophilic surface: 106.077

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.