MMsINC Database Search


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MMsINC code: MMs02815128

Type: Neutral
Formula: C₁₃H₁₀ClFN₄

SMILES:

Clc1cccc(F)c1Cn1c2ncnc(N)c2cc1

InChI:

InChI=1/C13H10ClFN4/c14-10-2-1-3-11(15)9(10)6-19-5-4-8-12(16)17-7-18-13(8)19/h1-5,7H,6H2,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.1607 kcal/mol

Physical Properties
Molecular Weight: 276.702 g/mol	logS: -4.53802	SlogP: 3.1207	Reactive groups: 0

Topological Properties
Globularity: 0.133065	Sterimol/B1: 2.19478	Sterimol/B2: 4.17108	Sterimol/B3: 5.02798
Sterimol/B4: 5.04033	Sterimol/L: 12.6884

Surface and Volume Properties
Accessible surface: 445.809	Positive charged surface: 256.432	Negative charged surface: 183.801	Volume: 238.25
Hydrophobic surface: 302.901	Hydrophilic surface: 142.908

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.