MMsINC Database Search


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MMsINC code: MMs01939358

Type: Neutral
Formula: C₂₀H₂₀FN₃O₂

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)N1CCN(CC1)c1ccc(OC)cc1

InChI:

InChI=1/C20H20FN3O2/c1-26-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-14-12-15(21)2-7-18(14)22-19/h2-7,12-13,22H,8-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.07 kcal/mol

Physical Properties
Molecular Weight: 353.397 g/mol	logS: -4.08379	SlogP: 3.278	Reactive groups: 0

Topological Properties
Globularity: 0.0647018	Sterimol/B1: 2.59266	Sterimol/B2: 3.43811	Sterimol/B3: 5.09151
Sterimol/B4: 5.96035	Sterimol/L: 19.1413

Surface and Volume Properties
Accessible surface: 603.221	Positive charged surface: 385.053	Negative charged surface: 212.401	Volume: 329.125
Hydrophobic surface: 531.234	Hydrophilic surface: 71.987

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.