MMsINC Database Search


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MMsINC code: MMs01210146

Type: Neutral
Formula: C₁₉H₁₇ClFN₃O₃

SMILES:

Clc1cc(N2C(=O)c3c(N(CC(=O)NC(C)C)C2=O)cccc3)ccc1F

InChI:

InChI=1/C19H17ClFN3O3/c1-11(2)22-17(25)10-23-16-6-4-3-5-13(16)18(26)24(19(23)27)12-7-8-15(21)14(20)9-12/h3-9,11H,10H2,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8543 kcal/mol

Physical Properties
Molecular Weight: 389.814 g/mol	logS: -5.40604	SlogP: 3.5905	Reactive groups: 0

Topological Properties
Globularity: 0.090796	Sterimol/B1: 2.2913	Sterimol/B2: 3.90207	Sterimol/B3: 3.98008
Sterimol/B4: 9.71694	Sterimol/L: 15.7019

Surface and Volume Properties
Accessible surface: 623.996	Positive charged surface: 326.185	Negative charged surface: 297.811	Volume: 340.375
Hydrophobic surface: 489.525	Hydrophilic surface: 134.471

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.