MMsINC Database Search


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MMsINC code: MMs01207039

Type: Neutral
Formula: C₂₅H₂₇FN₂O

SMILES:

Fc1ccccc1Cn1c2c(CCCC2)c(C)c1C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C25H27FN2O/c1-18-21-13-7-9-15-23(21)28(17-20-12-6-8-14-22(20)26)24(18)25(29)27(2)16-19-10-4-3-5-11-19/h3-6,8,10-12,14H,7,9,13,15-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.9976 kcal/mol

Physical Properties
Molecular Weight: 390.502 g/mol	logS: -4.99523	SlogP: 5.66766	Reactive groups: 0

Topological Properties
Globularity: 0.155138	Sterimol/B1: 2.65342	Sterimol/B2: 3.54777	Sterimol/B3: 5.78097
Sterimol/B4: 8.67074	Sterimol/L: 15.0438

Surface and Volume Properties
Accessible surface: 636.806	Positive charged surface: 424.137	Negative charged surface: 212.669	Volume: 395.75
Hydrophobic surface: 607.128	Hydrophilic surface: 29.678

Pharmacophoric Properties
Hydrogen bond donors: 0	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.