MMsINC Database Search


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MMsINC code: MMs02105183

Type: Neutral
Formula: C₁₈H₁₄FN₃O₂

SMILES:

Fc1ccc(cc1)C(=O)c1cc([nH]c1)C(=O)NCc1cccnc1

InChI:

InChI=1/C18H14FN3O2/c19-15-5-3-13(4-6-15)17(23)14-8-16(21-11-14)18(24)22-10-12-2-1-7-20-9-12/h1-9,11,21H,10H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1241 kcal/mol

Physical Properties
Molecular Weight: 323.327 g/mol	logS: -3.0047	SlogP: 2.9762	Reactive groups: 0

Topological Properties
Globularity: 0.0290813	Sterimol/B1: 2.77538	Sterimol/B2: 2.85902	Sterimol/B3: 4.35677
Sterimol/B4: 6.18532	Sterimol/L: 18.0636

Surface and Volume Properties
Accessible surface: 572.722	Positive charged surface: 319.577	Negative charged surface: 253.145	Volume: 295.625
Hydrophobic surface: 425.355	Hydrophilic surface: 147.367

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.