MMsINC Database Search


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MMsINC code: MMs01674402

Type: Neutral
Formula: C₁₉H₂₁ClFNO₂

SMILES:

Clc1ccc(cc1)C(C(C)C)C(=O)NCCOc1ccccc1F

InChI:

InChI=1/C19H21ClFNO2/c1-13(2)18(14-7-9-15(20)10-8-14)19(23)22-11-12-24-17-6-4-3-5-16(17)21/h3-10,13,18H,11-12H2,1-2H3,(H,22,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9638 kcal/mol

Physical Properties
Molecular Weight: 349.833 g/mol	logS: -5.69868	SlogP: 4.4139	Reactive groups: 0

Topological Properties
Globularity: 0.110651	Sterimol/B1: 2.41644	Sterimol/B2: 3.14757	Sterimol/B3: 5.81884
Sterimol/B4: 6.82678	Sterimol/L: 18.4155

Surface and Volume Properties
Accessible surface: 616.009	Positive charged surface: 340.468	Negative charged surface: 275.541	Volume: 329.375
Hydrophobic surface: 552.52	Hydrophilic surface: 63.489

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.