MMsINC Database Search


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MMsINC code: MMs00984309

Type: Neutral
Formula: C₁₉H₁₇FN₂O

SMILES:

Fc1ccccc1NC(=O)C(n1cccc1)Cc1ccccc1

InChI:

InChI=1/C19H17FN2O/c20-16-10-4-5-11-17(16)21-19(23)18(22-12-6-7-13-22)14-15-8-2-1-3-9-15/h1-13,18H,14H2,(H,21,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9258 kcal/mol

Physical Properties
Molecular Weight: 308.356 g/mol	logS: -3.84289	SlogP: 4.14517	Reactive groups: 0

Topological Properties
Globularity: 0.0715135	Sterimol/B1: 3.17841	Sterimol/B2: 3.33979	Sterimol/B3: 3.89768
Sterimol/B4: 6.37184	Sterimol/L: 16.4494

Surface and Volume Properties
Accessible surface: 554.213	Positive charged surface: 304.124	Negative charged surface: 250.089	Volume: 301.125
Hydrophobic surface: 516.095	Hydrophilic surface: 38.118

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