MMsINC Database Search


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MMsINC code: MMs01184002

Type: Neutral
Formula: C₁₉H₂₅F₃N₄O₂

SMILES:

FC(F)(F)c1ccc(cc1)Cn1ccnc1CN(CCOC)C(=O)NC(C)C

InChI:

InChI=1/C19H25F3N4O2/c1-14(2)24-18(27)26(10-11-28-3)13-17-23-8-9-25(17)12-15-4-6-16(7-5-15)19(20,21)22/h4-9,14H,10-13H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9608 kcal/mol

Physical Properties
Molecular Weight: 398.429 g/mol	logS: -3.2178	SlogP: 4.3609	Reactive groups: 0

Topological Properties
Globularity: 0.17611	Sterimol/B1: 3.65164	Sterimol/B2: 3.70042	Sterimol/B3: 5.53707
Sterimol/B4: 8.5758	Sterimol/L: 16.3553

Surface and Volume Properties
Accessible surface: 642.106	Positive charged surface: 414.645	Negative charged surface: 227.461	Volume: 367.125
Hydrophobic surface: 443.305	Hydrophilic surface: 198.801

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.