MMsINC Database Search


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MMsINC code: MMs00904669

Type: Neutral
Formula: C₁₉H₁₈FN₃

SMILES:

Fc1cc2nc3c4c(n(c3nc2cc1)CCCCC)cccc4

InChI:

InChI=1/C19H18FN3/c1-2-3-6-11-23-17-8-5-4-7-14(17)18-19(23)22-15-10-9-13(20)12-16(15)21-18/h4-5,7-10,12H,2-3,6,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8722 kcal/mol

Physical Properties
Molecular Weight: 307.372 g/mol	logS: -6.24749	SlogP: 5.3334	Reactive groups: 0

Topological Properties
Globularity: 0.0447313	Sterimol/B1: 2.58023	Sterimol/B2: 3.59093	Sterimol/B3: 3.72812
Sterimol/B4: 9.25243	Sterimol/L: 15.6563

Surface and Volume Properties
Accessible surface: 568.571	Positive charged surface: 348.376	Negative charged surface: 214.634	Volume: 303.375
Hydrophobic surface: 505.16	Hydrophilic surface: 63.411

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.