MMsINC Database Search


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MMsINC code: MMs01901190

Type: Neutral
Formula: C₁₉H₁₃ClFNO₅

SMILES:

Clc1ccc(cc1)C(=O)C=1C(N(CC(O)=O)C(=O)C=1O)c1ccc(F)cc1

InChI:

InChI=1/C19H13ClFNO5/c20-12-5-1-11(2-6-12)17(25)15-16(10-3-7-13(21)8-4-10)22(9-14(23)24)19(27)18(15)26/h1-8,16,26H,9H2,(H,23,24)/t16-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.7358 kcal/mol

Physical Properties
Molecular Weight: 389.766 g/mol	logS: -4.88771	SlogP: 3.2375	Reactive groups: 1

Topological Properties
Globularity: 0.198138	Sterimol/B1: 3.16472	Sterimol/B2: 4.08507	Sterimol/B3: 5.04935
Sterimol/B4: 7.09555	Sterimol/L: 15.574

Surface and Volume Properties
Accessible surface: 580.552	Positive charged surface: 271.634	Negative charged surface: 308.918	Volume: 325.5
Hydrophobic surface: 391.404	Hydrophilic surface: 189.148

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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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