MMsINC Database Search


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MMsINC code: MMs03153847

Type: Neutral
Formula: C₂₃H₂₀FN₃

SMILES:

Fc1ccc(cc1)-c1n(C)c(nc1)NCc1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C23H20FN3/c1-27-22(20-11-13-21(24)14-12-20)16-26-23(27)25-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0203 kcal/mol

Physical Properties
Molecular Weight: 357.432 g/mol	logS: -7.16575	SlogP: 6.1309	Reactive groups: 0

Topological Properties
Globularity: 0.0388787	Sterimol/B1: 3.03922	Sterimol/B2: 3.53649	Sterimol/B3: 4.09135
Sterimol/B4: 5.64133	Sterimol/L: 21.5609

Surface and Volume Properties
Accessible surface: 635.683	Positive charged surface: 364.36	Negative charged surface: 261.015	Volume: 355.625
Hydrophobic surface: 596.125	Hydrophilic surface: 39.558

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