MMsINC Database Search


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MMsINC code: MMs02142998

Type: Neutral
Formula: C₁₅H₁₁FN₂O

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc2c([nH]cc2)cc1

InChI:

InChI=1/C15H11FN2O/c16-12-3-1-10(2-4-12)15(19)18-13-5-6-14-11(9-13)7-8-17-14/h1-9,17H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9066 kcal/mol

Physical Properties
Molecular Weight: 254.264 g/mol	logS: -3.93975	SlogP: 3.5593	Reactive groups: 0

Topological Properties
Globularity: 0.0153577	Sterimol/B1: 2.097	Sterimol/B2: 2.86239	Sterimol/B3: 3.11049
Sterimol/B4: 5.54519	Sterimol/L: 15.8198

Surface and Volume Properties
Accessible surface: 469.901	Positive charged surface: 235.293	Negative charged surface: 229.058	Volume: 234.625
Hydrophobic surface: 380.385	Hydrophilic surface: 89.516

Pharmacophoric Properties
Hydrogen bond donors: 2	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.