MMsINC Database Search


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MMsINC code: MMs00790434

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₂

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccccc1C(=O)NCCCC

InChI:

InChI=1/C19H20ClFN2O2/c1-2-3-11-22-19(25)13-7-4-5-10-17(13)23-18(24)12-14-15(20)8-6-9-16(14)21/h4-10H,2-3,11-12H2,1H3,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9799 kcal/mol

Physical Properties
Molecular Weight: 362.832 g/mol	logS: -5.63594	SlogP: 4.19017	Reactive groups: 0

Topological Properties
Globularity: 0.0399277	Sterimol/B1: 2.6931	Sterimol/B2: 3.48259	Sterimol/B3: 4.68103
Sterimol/B4: 7.80432	Sterimol/L: 19.0323

Surface and Volume Properties
Accessible surface: 632.922	Positive charged surface: 363.153	Negative charged surface: 269.769	Volume: 337.25
Hydrophobic surface: 549.145	Hydrophilic surface: 83.777

Pharmacophoric Properties
Hydrogen bond donors: 2	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.