MMsINC Database Search


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MMsINC code: MMs02668149

Type: Neutral
Formula: C₁₈H₂₀FN₃O₂

SMILES:

Fc1ccc(NC(=O)NN(C(=O)c2ccccc2)C(C)(C)C)cc1

InChI:

InChI=1/C18H20FN3O2/c1-18(2,3)22(16(23)13-7-5-4-6-8-13)21-17(24)20-15-11-9-14(19)10-12-15/h4-12H,1-3H3,(H2,20,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.204 kcal/mol

Physical Properties
Molecular Weight: 329.375 g/mol	logS: -4.6512	SlogP: 3.8031	Reactive groups: 0

Topological Properties
Globularity: 0.235863	Sterimol/B1: 2.15615	Sterimol/B2: 3.14811	Sterimol/B3: 5.68186
Sterimol/B4: 8.3214	Sterimol/L: 13.8487

Surface and Volume Properties
Accessible surface: 540.774	Positive charged surface: 295.601	Negative charged surface: 245.173	Volume: 315
Hydrophobic surface: 442.324	Hydrophilic surface: 98.45

Pharmacophoric Properties
Hydrogen bond donors: 2	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.