MMsINC Database Search


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MMsINC code: MMs01160064

Type: Neutral
Formula: C₂₅H₂₇FN₂O₂

SMILES:

Fc1ccc(cc1)-c1n(c(C)c(c1)C(=O)N1CC(OC(C1)C)C)-c1cc(ccc1)C

InChI:

InChI=1/C25H27FN2O2/c1-16-6-5-7-22(12-16)28-19(4)23(13-24(28)20-8-10-21(26)11-9-20)25(29)27-14-17(2)30-18(3)15-27/h5-13,17-18H,14-15H2,1-4H3/t17-,18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.901 kcal/mol

Physical Properties
Molecular Weight: 406.501 g/mol	logS: -6.00948	SlogP: 5.14964	Reactive groups: 0

Topological Properties
Globularity: 0.0892899	Sterimol/B1: 2.17852	Sterimol/B2: 3.17389	Sterimol/B3: 5.04092
Sterimol/B4: 9.85692	Sterimol/L: 16.4603

Surface and Volume Properties
Accessible surface: 688.275	Positive charged surface: 427.343	Negative charged surface: 260.932	Volume: 401
Hydrophobic surface: 603.166	Hydrophilic surface: 85.109

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

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.