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MMsINC code: MMs01517646

Type: Neutral
Formula: C₂₀H₂₃F₂N₃OS

SMILES:

S(C(F)F)c1ccc(NC(=O)CN2CCN(CC2)Cc2ccccc2)cc1

InChI:

InChI=1/C20H23F2N3OS/c21-20(22)27-18-8-6-17(7-9-18)23-19(26)15-25-12-10-24(11-13-25)14-16-4-2-1-3-5-16/h1-9,20H,10-15H2,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.939 kcal/mol

Physical Properties
Molecular Weight: 391.486 g/mol	logS: -4.40476	SlogP: 4.4439	Reactive groups: 0

Topological Properties
Globularity: 0.0722796	Sterimol/B1: 2.82098	Sterimol/B2: 2.89694	Sterimol/B3: 5.18106
Sterimol/B4: 7.63797	Sterimol/L: 18.7461

Surface and Volume Properties
Accessible surface: 659.061	Positive charged surface: 411.08	Negative charged surface: 247.981	Volume: 361.75
Hydrophobic surface: 502.605	Hydrophilic surface: 156.456

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

MMs01517647
ENAMINE-ZINC03582690