MMsINC Database Search


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MMsINC code: MMs00652573

Type: Neutral
Formula: C₁₈H₁₉ClFNO

SMILES:

Clc1cccc(F)c1CC(=O)N(Cc1ccccc1)C(C)C

InChI:

InChI=1/C18H19ClFNO/c1-13(2)21(12-14-7-4-3-5-8-14)18(22)11-15-16(19)9-6-10-17(15)20/h3-10,13H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1519 kcal/mol

Physical Properties
Molecular Weight: 319.807 g/mol	logS: -4.93808	SlogP: 4.72517	Reactive groups: 0

Topological Properties
Globularity: 0.127431	Sterimol/B1: 2.30136	Sterimol/B2: 3.98649	Sterimol/B3: 5.16451
Sterimol/B4: 7.14791	Sterimol/L: 14.2015

Surface and Volume Properties
Accessible surface: 536.021	Positive charged surface: 282.918	Negative charged surface: 253.103	Volume: 304
Hydrophobic surface: 484.123	Hydrophilic surface: 51.898

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.