MMsINC Database Search


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MMsINC code: MMs01803779

Type: Neutral
Formula: C₂₀H₁₄FN₃O₄

SMILES:

Fc1ccc(NC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2)cc1

InChI:

InChI=1/C20H14FN3O4/c21-14-8-10-15(11-9-14)22-20(26)17-6-1-2-7-18(17)23-19(25)13-4-3-5-16(12-13)24(27)28/h1-12H,(H,22,26)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.965 kcal/mol

Physical Properties
Molecular Weight: 379.347 g/mol	logS: -6.41007	SlogP: 4.2385	Reactive groups: 0

Topological Properties
Globularity: 0.0297608	Sterimol/B1: 2.55468	Sterimol/B2: 3.02826	Sterimol/B3: 3.1219
Sterimol/B4: 10.24	Sterimol/L: 17.2051

Surface and Volume Properties
Accessible surface: 610.637	Positive charged surface: 276.78	Negative charged surface: 333.857	Volume: 330.625
Hydrophobic surface: 475.108	Hydrophilic surface: 135.529

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.