MMsINC Database Search


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MMsINC code: MMs01156755

Type: Neutral
Formula: C₂₄H₂₇FN₂O

SMILES:

Fc1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCCCCC)-c1ccc(cc1)C

InChI:

InChI=1/C24H27FN2O/c1-4-5-6-15-26-24(28)22-16-23(19-9-11-20(25)12-10-19)27(18(22)3)21-13-7-17(2)8-14-21/h7-14,16H,4-6,15H2,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5807 kcal/mol

Physical Properties
Molecular Weight: 378.491 g/mol	logS: -6.72899	SlogP: 5.82024	Reactive groups: 0

Topological Properties
Globularity: 0.0246969	Sterimol/B1: 3.32469	Sterimol/B2: 3.55713	Sterimol/B3: 4.8943
Sterimol/B4: 6.97236	Sterimol/L: 20.6348

Surface and Volume Properties
Accessible surface: 691.204	Positive charged surface: 438.53	Negative charged surface: 252.674	Volume: 387.125
Hydrophobic surface: 621.435	Hydrophilic surface: 69.769

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.