MMsINC Database Search


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MMsINC code: MMs01751876

Type: Neutral
Formula: C₂₀H₁₇FN₂O

SMILES:

Fc1cc2cc(C(=O)N3CCc4c(C3)cccc4)c(nc2cc1)C

InChI:

InChI=1/C20H17FN2O/c1-13-18(11-16-10-17(21)6-7-19(16)22-13)20(24)23-9-8-14-4-2-3-5-15(14)12-23/h2-7,10-11H,8-9,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0407 kcal/mol

Physical Properties
Molecular Weight: 320.367 g/mol	logS: -4.5737	SlogP: 4.14719	Reactive groups: 0

Topological Properties
Globularity: 0.138543	Sterimol/B1: 2.42096	Sterimol/B2: 2.52901	Sterimol/B3: 5.33925
Sterimol/B4: 8.2616	Sterimol/L: 14.6073

Surface and Volume Properties
Accessible surface: 549.218	Positive charged surface: 312.776	Negative charged surface: 232.18	Volume: 304.25
Hydrophobic surface: 506.168	Hydrophilic surface: 43.05

Pharmacophoric Properties
Hydrogen bond donors: 0	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.