MMsINC Database Search


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MMsINC code: MMs01511616

Type: Neutral
Formula: C₁₇H₁₈FNO₂

SMILES:

Fc1cc(NC(=O)CCCOc2ccccc2)c(cc1)C

InChI:

InChI=1/C17H18FNO2/c1-13-9-10-14(18)12-16(13)19-17(20)8-5-11-21-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7824 kcal/mol

Physical Properties
Molecular Weight: 287.334 g/mol	logS: -3.97083	SlogP: 3.93182	Reactive groups: 0

Topological Properties
Globularity: 0.0120754	Sterimol/B1: 2.01887	Sterimol/B2: 2.30134	Sterimol/B3: 3.04587
Sterimol/B4: 7.03005	Sterimol/L: 18.571

Surface and Volume Properties
Accessible surface: 557.213	Positive charged surface: 333.646	Negative charged surface: 223.567	Volume: 280.375
Hydrophobic surface: 518.732	Hydrophilic surface: 38.481

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.