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MMsINC code: MMs01196541

Type: Neutral
Formula: C₁₅H₂₀FN₃O₂

SMILES:

Fc1cc(ccc1)C(=O)\N=C(/OC)\NCCN1CCCC1

InChI:

InChI=1/C15H20FN3O2/c1-21-15(17-7-10-19-8-2-3-9-19)18-14(20)12-5-4-6-13(16)11-12/h4-6,11H,2-3,7-10H2,1H3,(H,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.3589 kcal/mol

Physical Properties
Molecular Weight: 293.342 g/mol	logS: -2.83516	SlogP: 1.6537	Reactive groups: 0

Topological Properties
Globularity: 0.0758783	Sterimol/B1: 2.43325	Sterimol/B2: 3.69791	Sterimol/B3: 4.05753
Sterimol/B4: 8.79931	Sterimol/L: 15.9467

Surface and Volume Properties
Accessible surface: 561.507	Positive charged surface: 403.392	Negative charged surface: 158.115	Volume: 284
Hydrophobic surface: 502.546	Hydrophilic surface: 58.961

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01196542
COMGENEX-ZINC06733730