MMsINC Database Search


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MMsINC code: MMs00621685

Type: Neutral
Formula: C₁₈H₁₅FN₂O₄

SMILES:

Fc1ccc(cc1)CCN1C(=O)\C(=C/c2oc(cc2)C)\C(=O)NC1=O

InChI:

InChI=1/C18H15FN2O4/c1-11-2-7-14(25-11)10-15-16(22)20-18(24)21(17(15)23)9-8-12-3-5-13(19)6-4-12/h2-7,10H,8-9H2,1H3,(H,20,22,24)/b15-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.788 kcal/mol

Physical Properties
Molecular Weight: 342.326 g/mol	logS: -4.89442	SlogP: 2.43159	Reactive groups: 0

Topological Properties
Globularity: 0.0343603	Sterimol/B1: 2.28713	Sterimol/B2: 2.43508	Sterimol/B3: 3.50699
Sterimol/B4: 9.65729	Sterimol/L: 15.1276

Surface and Volume Properties
Accessible surface: 556.396	Positive charged surface: 303.648	Negative charged surface: 252.748	Volume: 303.375
Hydrophobic surface: 429.932	Hydrophilic surface: 126.464

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.