MMsINC Database Search


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MMsINC code: MMs00610482

Type: Neutral
Formula: C₁₈H₂₀FNO₂

SMILES:

Fc1ccc(NC(=O)CCCc2cc(C)c(OC)cc2)cc1

InChI:

InChI=1/C18H20FNO2/c1-13-12-14(6-11-17(13)22-2)4-3-5-18(21)20-16-9-7-15(19)8-10-16/h6-12H,3-5H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.132 kcal/mol

Physical Properties
Molecular Weight: 301.361 g/mol	logS: -4.31931	SlogP: 4.10409	Reactive groups: 0

Topological Properties
Globularity: 0.0705421	Sterimol/B1: 2.17799	Sterimol/B2: 2.83263	Sterimol/B3: 5.6234
Sterimol/B4: 6.10715	Sterimol/L: 18.4743

Surface and Volume Properties
Accessible surface: 582.988	Positive charged surface: 384.174	Negative charged surface: 198.814	Volume: 299
Hydrophobic surface: 537.263	Hydrophilic surface: 45.725

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.