MMsINC Database Search


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MMsINC code: MMs00891668

Type: Neutral
Formula: C₁₈H₁₅ClFN₃O₃

SMILES:

Clc1cc(F)ccc1NC(=O)CN1C(=O)c2c(N(CC)C1=O)cccc2

InChI:

InChI=1/C18H15ClFN3O3/c1-2-22-15-6-4-3-5-12(15)17(25)23(18(22)26)10-16(24)21-14-8-7-11(20)9-13(14)19/h3-9H,2,10H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6509 kcal/mol

Physical Properties
Molecular Weight: 375.787 g/mol	logS: -5.07883	SlogP: 3.5199	Reactive groups: 0

Topological Properties
Globularity: 0.10829	Sterimol/B1: 2.34781	Sterimol/B2: 4.13083	Sterimol/B3: 4.81048
Sterimol/B4: 8.05141	Sterimol/L: 15.9941

Surface and Volume Properties
Accessible surface: 586.45	Positive charged surface: 298.959	Negative charged surface: 287.491	Volume: 321.5
Hydrophobic surface: 476.133	Hydrophilic surface: 110.317

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.