MMsINC Database Search


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MMsINC code: MMs01208601

Type: Neutral
Formula: C₂₃H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1n(Cc2cc(OC)ccc2)c(C)c(C)c1C

InChI:

InChI=1/C23H25FN2O2/c1-15-16(2)22(23(27)25-13-18-8-10-20(24)11-9-18)26(17(15)3)14-19-6-5-7-21(12-19)28-4/h5-12H,13-14H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.05 kcal/mol

Physical Properties
Molecular Weight: 380.463 g/mol	logS: -4.53665	SlogP: 5.07216	Reactive groups: 0

Topological Properties
Globularity: 0.168959	Sterimol/B1: 4.11534	Sterimol/B2: 4.21777	Sterimol/B3: 4.25585
Sterimol/B4: 9.07811	Sterimol/L: 15.2718

Surface and Volume Properties
Accessible surface: 624.735	Positive charged surface: 386.577	Negative charged surface: 238.157	Volume: 374.75
Hydrophobic surface: 561.658	Hydrophilic surface: 63.077

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.