MMsINC Database Search


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MMsINC code: MMs00787539

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(Cc1ccccc1)CC

InChI:

InChI=1/C17H18FNO/c1-2-16(12-13-6-4-3-5-7-13)19-17(20)14-8-10-15(18)11-9-14/h3-11,16H,2,12H2,1H3,(H,19,20)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.8942 kcal/mol

Physical Properties
Molecular Weight: 271.335 g/mol	logS: -4.18434	SlogP: 3.57677	Reactive groups: 0

Topological Properties
Globularity: 0.158839	Sterimol/B1: 2.5078	Sterimol/B2: 3.38523	Sterimol/B3: 3.70381
Sterimol/B4: 9.06111	Sterimol/L: 13.1874

Surface and Volume Properties
Accessible surface: 512.436	Positive charged surface: 287.813	Negative charged surface: 224.623	Volume: 273.375
Hydrophobic surface: 472.419	Hydrophilic surface: 40.017

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