MMsINC Database Search


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MMsINC code: MMs01136455

Type: Neutral
Formula: C₂₄H₁₉FN₂O₂

SMILES:

Fc1cc(ccc1)-c1c2c(cncc2)c(cc1)CNC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C24H19FN2O2/c1-29-20-7-3-5-17(13-20)24(28)27-14-18-8-9-21(16-4-2-6-19(25)12-16)22-10-11-26-15-23(18)22/h2-13,15H,14H2,1H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.95 kcal/mol

Physical Properties
Molecular Weight: 386.426 g/mol	logS: -6.69039	SlogP: 5.2459	Reactive groups: 0

Topological Properties
Globularity: 0.0721098	Sterimol/B1: 3.1605	Sterimol/B2: 3.98587	Sterimol/B3: 5.3574
Sterimol/B4: 5.66627	Sterimol/L: 20.663

Surface and Volume Properties
Accessible surface: 656.193	Positive charged surface: 392.558	Negative charged surface: 250.814	Volume: 369.5
Hydrophobic surface: 587.36	Hydrophilic surface: 68.833

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.