MMsINC Database Search


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MMsINC code: MMs01140205

Type: Neutral
Formula: C₂₅H₃₀FN₃O

SMILES:

Fc1cc(ccc1)Cn1cccc1CN(CC(C)C)C(=O)Nc1cc(ccc1)CC

InChI:

InChI=1/C25H30FN3O/c1-4-20-8-6-11-23(15-20)27-25(30)29(16-19(2)3)18-24-12-7-13-28(24)17-21-9-5-10-22(26)14-21/h5-15,19H,4,16-18H2,1-3H3,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5363 kcal/mol

Physical Properties
Molecular Weight: 407.533 g/mol	logS: -5.36302	SlogP: 6.46077	Reactive groups: 0

Topological Properties
Globularity: 0.107917	Sterimol/B1: 3.55377	Sterimol/B2: 5.55733	Sterimol/B3: 5.59197
Sterimol/B4: 6.15238	Sterimol/L: 18.8177

Surface and Volume Properties
Accessible surface: 705.428	Positive charged surface: 417.126	Negative charged surface: 288.302	Volume: 419.625
Hydrophobic surface: 599.122	Hydrophilic surface: 106.306

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.