MMsINC Database Search


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MMsINC code: MMs02869537

Type: Neutral
Formula: C₁₉H₂₀FN₃

SMILES:

Fc1ccc(cc1)\C=N\c1nc2c(n1CCCCC)cccc2

InChI:

InChI=1/C19H20FN3/c1-2-3-6-13-23-18-8-5-4-7-17(18)22-19(23)21-14-15-9-11-16(20)12-10-15/h4-5,7-12,14H,2-3,6,13H2,1H3/b21-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.4313 kcal/mol

Physical Properties
Molecular Weight: 309.388 g/mol	logS: -6.07947	SlogP: 5.3826	Reactive groups: 0

Topological Properties
Globularity: 0.0434018	Sterimol/B1: 2.13544	Sterimol/B2: 2.64952	Sterimol/B3: 3.5193
Sterimol/B4: 11.8091	Sterimol/L: 15.3026

Surface and Volume Properties
Accessible surface: 595.087	Positive charged surface: 367.61	Negative charged surface: 227.477	Volume: 314.25
Hydrophobic surface: 527.737	Hydrophilic surface: 67.35

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.