MMsINC Database Search


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MMsINC code: MMs01210417

Type: Neutral
Formula: C₂₃H₂₅FN₂O

SMILES:

Fc1ccc(NC(=O)c2n(Cc3cc(ccc3)C)c(C)c(CC)c2C)cc1

InChI:

InChI=1/C23H25FN2O/c1-5-21-16(3)22(23(27)25-20-11-9-19(24)10-12-20)26(17(21)4)14-18-8-6-7-15(2)13-18/h6-13H,5,14H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.263 kcal/mol

Physical Properties
Molecular Weight: 364.464 g/mol	logS: -5.53137	SlogP: 5.68183	Reactive groups: 0

Topological Properties
Globularity: 0.133442	Sterimol/B1: 2.63203	Sterimol/B2: 4.36325	Sterimol/B3: 5.45452
Sterimol/B4: 7.7909	Sterimol/L: 15.8511

Surface and Volume Properties
Accessible surface: 607.466	Positive charged surface: 351.169	Negative charged surface: 256.297	Volume: 367.625
Hydrophobic surface: 547.19	Hydrophilic surface: 60.276

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.