MMsINC Database Search


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MMsINC code: MMs02008738

Type: Neutral
Formula: C₂₀H₁₈ClFN₄O₂

SMILES:

Clc1ccc(N2C(=O)C=C(NC2=O)N2CCN(CC2)c2ccccc2F)cc1

InChI:

InChI=1/C20H18ClFN4O2/c21-14-5-7-15(8-6-14)26-19(27)13-18(23-20(26)28)25-11-9-24(10-12-25)17-4-2-1-3-16(17)22/h1-8,13H,9-12H2,(H,23,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.147 kcal/mol

Physical Properties
Molecular Weight: 400.841 g/mol	logS: -5.28343	SlogP: 3.1989	Reactive groups: 0

Topological Properties
Globularity: 0.062714	Sterimol/B1: 2.56114	Sterimol/B2: 3.30466	Sterimol/B3: 3.85003
Sterimol/B4: 5.96396	Sterimol/L: 20.6489

Surface and Volume Properties
Accessible surface: 630.059	Positive charged surface: 340.864	Negative charged surface: 289.195	Volume: 353.5
Hydrophobic surface: 514.187	Hydrophilic surface: 115.872

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.