MMsINC Database Search


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MMsINC code: MMs02075771

Type: Neutral
Formula: C₁₉H₁₆ClFN₂O₂

SMILES:

Clc1cccc(F)c1C(=O)Nc1cc2CCC(=O)N3CCCc(c1)c23

InChI:

InChI=1/C19H16ClFN2O2/c20-14-4-1-5-15(21)17(14)19(25)22-13-9-11-3-2-8-23-16(24)7-6-12(10-13)18(11)23/h1,4-5,9-10H,2-3,6-8H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2274 kcal/mol

Physical Properties
Molecular Weight: 358.8 g/mol	logS: -4.93167	SlogP: 3.95674	Reactive groups: 0

Topological Properties
Globularity: 0.0441113	Sterimol/B1: 2.96406	Sterimol/B2: 4.38736	Sterimol/B3: 4.47789
Sterimol/B4: 5.15608	Sterimol/L: 16.5496

Surface and Volume Properties
Accessible surface: 569.16	Positive charged surface: 319.555	Negative charged surface: 249.605	Volume: 313
Hydrophobic surface: 495.586	Hydrophilic surface: 73.574

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.