MMsINC Database Search


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MMsINC code: MMs03955612

Type: Neutral
Formula: C₁₉H₁₄FN₃O₅

SMILES:

Fc1ccc(N2C(=O)C(\C=N\c3cc(ccc3)C(OC)=O)=C(O)NC2=O)cc1

InChI:

InChI=1/C19H14FN3O5/c1-28-18(26)11-3-2-4-13(9-11)21-10-15-16(24)22-19(27)23(17(15)25)14-7-5-12(20)6-8-14/h2-10,24H,1H3,(H,22,27)/b21-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3982 kcal/mol

Physical Properties
Molecular Weight: 383.335 g/mol	logS: -4.73169	SlogP: 2.8406	Reactive groups: 0

Topological Properties
Globularity: 0.0502918	Sterimol/B1: 3.18282	Sterimol/B2: 4.49858	Sterimol/B3: 4.50432
Sterimol/B4: 4.96446	Sterimol/L: 20.4314

Surface and Volume Properties
Accessible surface: 628.427	Positive charged surface: 381.824	Negative charged surface: 246.603	Volume: 330.125
Hydrophobic surface: 445.998	Hydrophilic surface: 182.429

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.