MMsINC Database Search


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MMsINC code: MMs02609861

Type: Neutral
Formula: C₁₅H₁₄FN₃O₂

SMILES:

Fc1ccc(cc1)C(=O)CCNC(=O)Nc1ccncc1

InChI:

InChI=1/C15H14FN3O2/c16-12-3-1-11(2-4-12)14(20)7-10-18-15(21)19-13-5-8-17-9-6-13/h1-6,8-9H,7,10H2,(H2,17,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.3889 kcal/mol

Physical Properties
Molecular Weight: 287.294 g/mol	logS: -2.4462	SlogP: 2.6152	Reactive groups: 0

Topological Properties
Globularity: 0.0112726	Sterimol/B1: 2.40051	Sterimol/B2: 2.54177	Sterimol/B3: 2.92732
Sterimol/B4: 5.17214	Sterimol/L: 18.583

Surface and Volume Properties
Accessible surface: 529.618	Positive charged surface: 334.417	Negative charged surface: 195.201	Volume: 264.25
Hydrophobic surface: 417.139	Hydrophilic surface: 112.479

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.