MMsINC Database Search


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MMsINC code: MMs01941790

Type: Neutral
Formula: C₂₃H₂₆FN₃O₂

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)c1c2cc(OC)ccc2n(CC)c1C

InChI:

InChI=1/C23H26FN3O2/c1-4-27-16(2)22(18-15-17(29-3)9-10-20(18)27)23(28)26-13-11-25(12-14-26)21-8-6-5-7-19(21)24/h5-10,15H,4,11-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.005 kcal/mol

Physical Properties
Molecular Weight: 395.478 g/mol	logS: -4.46548	SlogP: 4.34612	Reactive groups: 0

Topological Properties
Globularity: 0.127295	Sterimol/B1: 1.98993	Sterimol/B2: 3.34699	Sterimol/B3: 6.99911
Sterimol/B4: 9.49265	Sterimol/L: 15.9238

Surface and Volume Properties
Accessible surface: 657.922	Positive charged surface: 440.198	Negative charged surface: 215.131	Volume: 385.625
Hydrophobic surface: 585.759	Hydrophilic surface: 72.163

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.