MMsINC Database Search


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MMsINC code: MMs00556573

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccccc1N1CC(CC1=O)C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C18H17FN2O2/c1-12-5-4-6-14(9-12)20-18(23)13-10-17(22)21(11-13)16-8-3-2-7-15(16)19/h2-9,13H,10-11H2,1H3,(H,20,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4632 kcal/mol

Physical Properties
Molecular Weight: 312.344 g/mol	logS: -4.03355	SlogP: 3.12572	Reactive groups: 0

Topological Properties
Globularity: 0.05245	Sterimol/B1: 3.00451	Sterimol/B2: 3.35157	Sterimol/B3: 4.35982
Sterimol/B4: 5.51884	Sterimol/L: 18.2407

Surface and Volume Properties
Accessible surface: 562.496	Positive charged surface: 322.426	Negative charged surface: 240.07	Volume: 292.625
Hydrophobic surface: 488.977	Hydrophilic surface: 73.519

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.