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MMsINC code: MMs01709582

Type: Neutral
Formula: C₁₄H₁₈FN₃O₂

SMILES:

Fc1ccc(NC(=O)CN2CCCCC2C(=O)N)cc1

InChI:

InChI=1/C14H18FN3O2/c15-10-4-6-11(7-5-10)17-13(19)9-18-8-2-1-3-12(18)14(16)20/h4-7,12H,1-3,8-9H2,(H2,16,20)(H,17,19)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.6376 kcal/mol

Physical Properties
Molecular Weight: 279.315 g/mol	logS: -2.81255	SlogP: 1.104	Reactive groups: 0

Topological Properties
Globularity: 0.0918204	Sterimol/B1: 2.90354	Sterimol/B2: 4.57218	Sterimol/B3: 4.57782
Sterimol/B4: 5.19875	Sterimol/L: 14.7187

Surface and Volume Properties
Accessible surface: 513.157	Positive charged surface: 336.461	Negative charged surface: 176.696	Volume: 258.5
Hydrophobic surface: 384.737	Hydrophilic surface: 128.42

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01709583
ENAMINE-ZINC06881345