MMsINC Database Search


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MMsINC code: MMs00917854

Type: Neutral
Formula: C₂₀H₁₈FN₃O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CNC(=O)CN1C=Cc2c(cccc2)C1=O

InChI:

InChI=1/C20H18FN3O3/c21-16-7-5-14(6-8-16)11-22-18(25)12-23-19(26)13-24-10-9-15-3-1-2-4-17(15)20(24)27/h1-10H,11-13H2,(H,22,25)(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9472 kcal/mol

Physical Properties
Molecular Weight: 367.38 g/mol	logS: -4.22801	SlogP: 1.9512	Reactive groups: 0

Topological Properties
Globularity: 0.0448008	Sterimol/B1: 2.76243	Sterimol/B2: 3.2403	Sterimol/B3: 4.7611
Sterimol/B4: 5.3215	Sterimol/L: 21.0016

Surface and Volume Properties
Accessible surface: 654.214	Positive charged surface: 375.128	Negative charged surface: 279.086	Volume: 338.125
Hydrophobic surface: 515.301	Hydrophilic surface: 138.913

Pharmacophoric Properties
Hydrogen bond donors: 2	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.