MMsINC Database Search


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MMsINC code: MMs00694389

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1ccccc1NC(=O)CCCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C18H15FN2O3/c19-14-8-3-4-9-15(14)20-16(22)10-5-11-21-17(23)12-6-1-2-7-13(12)18(21)24/h1-4,6-9H,5,10-11H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0945 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -4.30983	SlogP: 2.8406	Reactive groups: 0

Topological Properties
Globularity: 0.052409	Sterimol/B1: 3.08988	Sterimol/B2: 3.4983	Sterimol/B3: 5.10957
Sterimol/B4: 5.14032	Sterimol/L: 18.1389

Surface and Volume Properties
Accessible surface: 576.012	Positive charged surface: 319.276	Negative charged surface: 256.737	Volume: 297
Hydrophobic surface: 459.352	Hydrophilic surface: 116.66

Pharmacophoric Properties
Hydrogen bond donors: 1	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.