MMsINC Database Search


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MMsINC code: MMs01501714

Type: Neutral
Formula: C₁₇H₁₂ClFN₂O₃

SMILES:

Clc1cc(NC(=O)CCN2C(=O)c3c(cccc3)C2=O)c(F)cc1

InChI:

InChI=1/C17H12ClFN2O3/c18-10-5-6-13(19)14(9-10)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h1-6,9H,7-8H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.1375 kcal/mol

Physical Properties
Molecular Weight: 346.745 g/mol	logS: -4.84235	SlogP: 3.1039	Reactive groups: 0

Topological Properties
Globularity: 0.0377095	Sterimol/B1: 2.33387	Sterimol/B2: 4.1926	Sterimol/B3: 4.27609
Sterimol/B4: 4.32409	Sterimol/L: 18.101

Surface and Volume Properties
Accessible surface: 566.166	Positive charged surface: 267.438	Negative charged surface: 298.727	Volume: 292.375
Hydrophobic surface: 450.089	Hydrophilic surface: 116.077

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.