MMsINC Database Search


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MMsINC code: MMs02082958

Type: Neutral
Formula: C₁₈H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)CCNC(=O)C(=O)Nc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C18H17FN2O4/c1-25-18(24)13-4-8-15(9-5-13)21-17(23)16(22)20-11-10-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.236 kcal/mol

Physical Properties
Molecular Weight: 344.342 g/mol	logS: -4.26562	SlogP: 1.90967	Reactive groups: 0

Topological Properties
Globularity: 0.0199727	Sterimol/B1: 3.05724	Sterimol/B2: 3.57602	Sterimol/B3: 3.63565
Sterimol/B4: 4.16515	Sterimol/L: 22.4458

Surface and Volume Properties
Accessible surface: 616.444	Positive charged surface: 374.424	Negative charged surface: 242.02	Volume: 313.875
Hydrophobic surface: 478.626	Hydrophilic surface: 137.818

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.