MMsINC Database Search


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MMsINC code: MMs02738236

Type: Neutral
Formula: C₁₈H₁₁FN₂O₄

SMILES:

Fc1cc2c(cc1)C(=O)N(CCN1C(=O)c3c(cccc3)C1=O)C2=O

InChI:

InChI=1/C18H11FN2O4/c19-10-5-6-13-14(9-10)18(25)21(17(13)24)8-7-20-15(22)11-3-1-2-4-12(11)16(20)23/h1-6,9H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7257 kcal/mol

Physical Properties
Molecular Weight: 338.294 g/mol	logS: -4.5739	SlogP: 1.7179	Reactive groups: 0

Topological Properties
Globularity: 0.0133408	Sterimol/B1: 2.56165	Sterimol/B2: 2.88564	Sterimol/B3: 3.32186
Sterimol/B4: 4.68209	Sterimol/L: 17.7563

Surface and Volume Properties
Accessible surface: 548.879	Positive charged surface: 272.438	Negative charged surface: 276.44	Volume: 286.625
Hydrophobic surface: 401.001	Hydrophilic surface: 147.878

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.