MMsINC Database Search


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MMsINC code: MMs01142009

Type: Neutral
Formula: C₂₀H₂₅FN₄O₂

SMILES:

Fc1ccc(cc1)CN(C(=O)c1ncc(nc1)C)CCC(=O)N(CC)CC

InChI:

InChI=1/C20H25FN4O2/c1-4-24(5-2)19(26)10-11-25(14-16-6-8-17(21)9-7-16)20(27)18-13-22-15(3)12-23-18/h6-9,12-13H,4-5,10-11,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2807 kcal/mol

Physical Properties
Molecular Weight: 372.444 g/mol	logS: -2.04085	SlogP: 3.09142	Reactive groups: 0

Topological Properties
Globularity: 0.151108	Sterimol/B1: 2.3468	Sterimol/B2: 4.34987	Sterimol/B3: 6.01462
Sterimol/B4: 8.20178	Sterimol/L: 15.4849

Surface and Volume Properties
Accessible surface: 632.176	Positive charged surface: 419.145	Negative charged surface: 213.031	Volume: 364.75
Hydrophobic surface: 517.005	Hydrophilic surface: 115.171

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.