MMsINC Database Search


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MMsINC code: MMs01204829

Type: Neutral
Formula: C₂₂H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1n(Cc2cc(OC)ccc2)c(cc1C)C

InChI:

InChI=1/C22H23FN2O2/c1-15-11-16(2)25(14-18-5-4-6-20(12-18)27-3)21(15)22(26)24-13-17-7-9-19(23)10-8-17/h4-12H,13-14H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5967 kcal/mol

Physical Properties
Molecular Weight: 366.436 g/mol	logS: -4.37618	SlogP: 4.76374	Reactive groups: 0

Topological Properties
Globularity: 0.114408	Sterimol/B1: 2.35454	Sterimol/B2: 2.42153	Sterimol/B3: 5.80827
Sterimol/B4: 8.55133	Sterimol/L: 18.2689

Surface and Volume Properties
Accessible surface: 649.238	Positive charged surface: 396.976	Negative charged surface: 252.262	Volume: 362.25
Hydrophobic surface: 591.134	Hydrophilic surface: 58.104

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.