MMsINC Database Search


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MMsINC code: MMs02832744

Type: Neutral
Formula: C₁₈H₁₁Cl₂FN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(OC)=O)C(=O)N(C1=O)c1cc(Cl)c(F)cc1

InChI:

InChI=1/C18H11Cl2FN2O4/c1-27-18(26)9-3-2-4-10(7-9)22-15-14(20)16(24)23(17(15)25)11-5-6-13(21)12(19)8-11/h2-8,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.603 kcal/mol

Physical Properties
Molecular Weight: 409.2 g/mol	logS: -6.42113	SlogP: 3.8103	Reactive groups: 1

Topological Properties
Globularity: 0.104499	Sterimol/B1: 2.03734	Sterimol/B2: 3.41237	Sterimol/B3: 5.77624
Sterimol/B4: 9.82782	Sterimol/L: 14.4033

Surface and Volume Properties
Accessible surface: 615.614	Positive charged surface: 277.445	Negative charged surface: 338.169	Volume: 326.625
Hydrophobic surface: 503.787	Hydrophilic surface: 111.827

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.