MMsINC Database Search


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MMsINC code: MMs00968614

Type: Neutral
Formula: C₁₉H₁₈ClFN₂O₂

SMILES:

Clc1cc(F)ccc1CNC(=O)CN1CC(CC1=O)c1ccccc1

InChI:

InChI=1/C19H18ClFN2O2/c20-17-9-16(21)7-6-14(17)10-22-18(24)12-23-11-15(8-19(23)25)13-4-2-1-3-5-13/h1-7,9,15H,8,10-12H2,(H,22,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4232 kcal/mol

Physical Properties
Molecular Weight: 360.816 g/mol	logS: -4.36155	SlogP: 3.3778	Reactive groups: 0

Topological Properties
Globularity: 0.0494449	Sterimol/B1: 3.5151	Sterimol/B2: 3.60482	Sterimol/B3: 4.05451
Sterimol/B4: 5.94142	Sterimol/L: 19.6275

Surface and Volume Properties
Accessible surface: 614.842	Positive charged surface: 327.194	Negative charged surface: 287.648	Volume: 329.5
Hydrophobic surface: 528.325	Hydrophilic surface: 86.517

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

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.