MMsINC Database Search


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MMsINC code: MMs03348522

Type: Neutral
Formula: C₁₈H₁₄FNO₃

SMILES:

Fc1ccc(cc1)C1NC(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C18H14FNO3/c1-10-2-4-12(5-3-10)16(21)14-15(20-18(23)17(14)22)11-6-8-13(19)9-7-11/h2-9,14-15H,1H3,(H,20,23)/t14-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3086 kcal/mol

Physical Properties
Molecular Weight: 311.312 g/mol	logS: -4.63583	SlogP: 2.46872	Reactive groups: 0

Topological Properties
Globularity: 0.180368	Sterimol/B1: 3.43213	Sterimol/B2: 4.23352	Sterimol/B3: 4.38703
Sterimol/B4: 6.41421	Sterimol/L: 13.8336

Surface and Volume Properties
Accessible surface: 495.44	Positive charged surface: 261.044	Negative charged surface: 234.396	Volume: 279.75
Hydrophobic surface: 356.717	Hydrophilic surface: 138.723

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.