MMsINC Database Search


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MMsINC code: MMs01236127

Type: Neutral
Formula: C₁₉H₁₅FN₂O₅

SMILES:

Fc1ccccc1NC(=O)COC(=O)C(N1C(=O)c2c(cccc2)C1=O)C

InChI:

InChI=1/C19H15FN2O5/c1-11(22-17(24)12-6-2-3-7-13(12)18(22)25)19(26)27-10-16(23)21-15-9-5-4-8-14(15)20/h2-9,11H,10H2,1H3,(H,21,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.558 kcal/mol

Physical Properties
Molecular Weight: 370.336 g/mol	logS: -4.96152	SlogP: 1.9921	Reactive groups: 0

Topological Properties
Globularity: 0.0378253	Sterimol/B1: 2.26847	Sterimol/B2: 3.23086	Sterimol/B3: 4.75947
Sterimol/B4: 6.64772	Sterimol/L: 20.2615

Surface and Volume Properties
Accessible surface: 617.803	Positive charged surface: 337.052	Negative charged surface: 280.751	Volume: 324.5
Hydrophobic surface: 460.331	Hydrophilic surface: 157.472

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.