MMsINC Database Search


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MMsINC code: MMs01226030

Type: Neutral
Formula: C₁₅H₁₁ClFNO₃

SMILES:

Clc1cc(NC(=O)c2ccc(F)cc2)c(cc1)C(OC)=O

InChI:

InChI=1/C15H11ClFNO3/c1-21-15(20)12-7-4-10(16)8-13(12)18-14(19)9-2-5-11(17)6-3-9/h2-8H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4294 kcal/mol

Physical Properties
Molecular Weight: 307.708 g/mol	logS: -4.76587	SlogP: 3.518	Reactive groups: 0

Topological Properties
Globularity: 0.0345971	Sterimol/B1: 2.04121	Sterimol/B2: 2.38672	Sterimol/B3: 3.1266
Sterimol/B4: 10.1865	Sterimol/L: 13.985

Surface and Volume Properties
Accessible surface: 512.474	Positive charged surface: 265.966	Negative charged surface: 246.508	Volume: 263.625
Hydrophobic surface: 453.511	Hydrophilic surface: 58.963

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.