MMsINC Database Search


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MMsINC code: MMs01148152

Type: Neutral
Formula: C₂₂H₂₀F₂N₄O₂

SMILES:

Fc1ccccc1-c1nn(c(c1)C(=O)N1CCN(CC1)C(=O)C)-c1ccc(F)cc1

InChI:

InChI=1/C22H20F2N4O2/c1-15(29)26-10-12-27(13-11-26)22(30)21-14-20(18-4-2-3-5-19(18)24)25-28(21)17-8-6-16(23)7-9-17/h2-9,14H,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.551 kcal/mol

Physical Properties
Molecular Weight: 410.424 g/mol	logS: -4.93977	SlogP: 3.1218	Reactive groups: 0

Topological Properties
Globularity: 0.0468024	Sterimol/B1: 2.90831	Sterimol/B2: 3.8483	Sterimol/B3: 4.98114
Sterimol/B4: 9.8878	Sterimol/L: 16.5834

Surface and Volume Properties
Accessible surface: 645.506	Positive charged surface: 373.912	Negative charged surface: 271.594	Volume: 367.375
Hydrophobic surface: 567.377	Hydrophilic surface: 78.129

Pharmacophoric Properties
Hydrogen bond donors: 0	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.