MMsINC Database Search


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MMsINC code: MMs00893453

Type: Neutral
Formula: C₂₃H₂₉FN₂O₂

SMILES:

Fc1ccc(cc1)-c1n(CC(=O)NC2CCCCCCC2)c(C)c(c1)C(=O)C

InChI:

InChI=1/C23H29FN2O2/c1-16-21(17(2)27)14-22(18-10-12-19(24)13-11-18)26(16)15-23(28)25-20-8-6-4-3-5-7-9-20/h10-14,20H,3-9,15H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.358 kcal/mol

Physical Properties
Molecular Weight: 384.495 g/mol	logS: -5.71208	SlogP: 5.30072	Reactive groups: 0

Topological Properties
Globularity: 0.112276	Sterimol/B1: 2.72233	Sterimol/B2: 2.7571	Sterimol/B3: 5.39149
Sterimol/B4: 10.4485	Sterimol/L: 15.6318

Surface and Volume Properties
Accessible surface: 641.165	Positive charged surface: 397.51	Negative charged surface: 243.655	Volume: 382.5
Hydrophobic surface: 573.358	Hydrophilic surface: 67.807

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.