MMsINC Database Search


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MMsINC code: MMs01210207

Type: Neutral
Formula: C₂₀H₁₈F₂N₂O

SMILES:

Fc1ccccc1Cn1c(C(=O)Nc2cc(F)ccc2)c(cc1C)C

InChI:

InChI=1/C20H18F2N2O/c1-13-10-14(2)24(12-15-6-3-4-9-18(15)22)19(13)20(25)23-17-8-5-7-16(21)11-17/h3-11H,12H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5461 kcal/mol

Physical Properties
Molecular Weight: 340.373 g/mol	logS: -4.67674	SlogP: 4.95014	Reactive groups: 0

Topological Properties
Globularity: 0.122483	Sterimol/B1: 2.21809	Sterimol/B2: 2.24342	Sterimol/B3: 5.51583
Sterimol/B4: 9.34812	Sterimol/L: 14.028

Surface and Volume Properties
Accessible surface: 568.53	Positive charged surface: 305.765	Negative charged surface: 262.765	Volume: 319.625
Hydrophobic surface: 526.145	Hydrophilic surface: 42.385

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