MMsINC Database Search


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MMsINC code: MMs00803805

Type: Neutral
Formula: C₁₈H₁₇FN₂O₄

SMILES:

Fc1ccccc1CNC(=O)C(=O)Nc1ccc(cc1)C(OCC)=O

InChI:

InChI=1/C18H17FN2O4/c1-2-25-18(24)12-7-9-14(10-8-12)21-17(23)16(22)20-11-13-5-3-4-6-15(13)19/h3-10H,2,11H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5233 kcal/mol

Physical Properties
Molecular Weight: 344.342 g/mol	logS: -4.53136	SlogP: 2.5237	Reactive groups: 0

Topological Properties
Globularity: 0.0265141	Sterimol/B1: 3.20687	Sterimol/B2: 4.10745	Sterimol/B3: 4.1777
Sterimol/B4: 4.21954	Sterimol/L: 21.1042

Surface and Volume Properties
Accessible surface: 620.641	Positive charged surface: 366.531	Negative charged surface: 254.11	Volume: 315.625
Hydrophobic surface: 459.406	Hydrophilic surface: 161.235

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.