MMsINC Database Search


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MMsINC code: MMs01050530

Type: Neutral
Formula: C₁₇H₁₄ClFN₂O₂

SMILES:

Clc1cc(NC(=O)CN2c3c(CCC2=O)cccc3)ccc1F

InChI:

InChI=1/C17H14ClFN2O2/c18-13-9-12(6-7-14(13)19)20-16(22)10-21-15-4-2-1-3-11(15)5-8-17(21)23/h1-4,6-7,9H,5,8,10H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.272 kcal/mol

Physical Properties
Molecular Weight: 332.762 g/mol	logS: -4.57247	SlogP: 3.39697	Reactive groups: 0

Topological Properties
Globularity: 0.143604	Sterimol/B1: 2.62164	Sterimol/B2: 2.91835	Sterimol/B3: 5.19693
Sterimol/B4: 7.11614	Sterimol/L: 14.7199

Surface and Volume Properties
Accessible surface: 541.77	Positive charged surface: 271.627	Negative charged surface: 270.143	Volume: 289.75
Hydrophobic surface: 468.451	Hydrophilic surface: 73.319

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.