MMsINC Database Search


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MMsINC code: MMs00906718

Type: Neutral
Formula: C₂₃H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(Cc2ccc(cc2)C)C(=O)CN(C1=O)C1CCCC1

InChI:

InChI=1/C23H25FN2O2/c1-16-6-8-17(9-7-16)14-26-21(27)15-25(20-4-2-3-5-20)23(28)22(26)18-10-12-19(24)13-11-18/h6-13,20,22H,2-5,14-15H2,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.625 kcal/mol

Physical Properties
Molecular Weight: 380.463 g/mol	logS: -5.13316	SlogP: 4.35072	Reactive groups: 0

Topological Properties
Globularity: 0.158411	Sterimol/B1: 3.40418	Sterimol/B2: 4.28366	Sterimol/B3: 4.92598
Sterimol/B4: 9.404	Sterimol/L: 15.0334

Surface and Volume Properties
Accessible surface: 635.951	Positive charged surface: 377.596	Negative charged surface: 258.355	Volume: 370.125
Hydrophobic surface: 575.391	Hydrophilic surface: 60.56

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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: no related molecules available.