MMsINC Database Search


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MMsINC code: MMs01644342

Type: Neutral
Formula: C₁₆H₁₈ClFN₂O₂

SMILES:

Clc1cc(F)ccc1CN1C(=O)C2(NC1=O)CCCCC2C

InChI:

InChI=1/C16H18ClFN2O2/c1-10-4-2-3-7-16(10)14(21)20(15(22)19-16)9-11-5-6-12(18)8-13(11)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,22)/t10-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9086 kcal/mol

Physical Properties
Molecular Weight: 324.783 g/mol	logS: -4.50457	SlogP: 3.7462	Reactive groups: 0

Topological Properties
Globularity: 0.172726	Sterimol/B1: 2.18181	Sterimol/B2: 2.96164	Sterimol/B3: 5.66038
Sterimol/B4: 5.86606	Sterimol/L: 13.1378

Surface and Volume Properties
Accessible surface: 486.121	Positive charged surface: 291.888	Negative charged surface: 194.234	Volume: 285.375
Hydrophobic surface: 401.214	Hydrophilic surface: 84.907

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.