MMsINC Database Search


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MMsINC code: MMs00904623

Type: Neutral
Formula: C₁₉H₁₈ClFN₂O₂

SMILES:

Clc1ccccc1CNC(=O)C1N(Cc2ccc(F)cc2)C(=O)CC1

InChI:

InChI=1/C19H18ClFN2O2/c20-16-4-2-1-3-14(16)11-22-19(25)17-9-10-18(24)23(17)12-13-5-7-15(21)8-6-13/h1-8,17H,9-12H2,(H,22,25)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7032 kcal/mol

Physical Properties
Molecular Weight: 360.816 g/mol	logS: -4.62729	SlogP: 3.8193	Reactive groups: 0

Topological Properties
Globularity: 0.0694262	Sterimol/B1: 3.21376	Sterimol/B2: 4.20657	Sterimol/B3: 4.6809
Sterimol/B4: 5.21734	Sterimol/L: 17.1696

Surface and Volume Properties
Accessible surface: 608.897	Positive charged surface: 314.779	Negative charged surface: 294.118	Volume: 328.25
Hydrophobic surface: 536.684	Hydrophilic surface: 72.213

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.