MMsINC Database Search


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MMsINC code: MMs01462568

Type: Neutral
Formula: C₁₇H₁₈FNO₃

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc(OC)c(C)c(OC)c1

InChI:

InChI=1/C17H18FNO3/c1-11-15(21-2)8-13(9-16(11)22-3)17(20)19-10-12-4-6-14(18)7-5-12/h4-9H,10H2,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8592 kcal/mol

Physical Properties
Molecular Weight: 303.333 g/mol	logS: -3.85512	SlogP: 3.34772	Reactive groups: 0

Topological Properties
Globularity: 0.0525292	Sterimol/B1: 3.61524	Sterimol/B2: 3.62396	Sterimol/B3: 4.14902
Sterimol/B4: 6.31066	Sterimol/L: 15.96

Surface and Volume Properties
Accessible surface: 566.64	Positive charged surface: 384.149	Negative charged surface: 182.491	Volume: 291.5
Hydrophobic surface: 515.76	Hydrophilic surface: 50.88

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.