MMsINC Database Search


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MMsINC code: MMs00781928

Type: Neutral
Formula: C₁₆H₁₀F₂N₂O₃

SMILES:

Fc1cc(NC(=O)CN2C(=O)c3c(cccc3)C2=O)cc(F)c1

InChI:

InChI=1/C16H10F2N2O3/c17-9-5-10(18)7-11(6-9)19-14(21)8-20-15(22)12-3-1-2-4-13(12)16(20)23/h1-7H,8H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4068 kcal/mol

Physical Properties
Molecular Weight: 316.263 g/mol	logS: -4.52112	SlogP: 2.1995	Reactive groups: 0

Topological Properties
Globularity: 0.0793867	Sterimol/B1: 2.96577	Sterimol/B2: 4.04509	Sterimol/B3: 4.82404
Sterimol/B4: 5.30768	Sterimol/L: 15.9665

Surface and Volume Properties
Accessible surface: 523.572	Positive charged surface: 255.205	Negative charged surface: 268.367	Volume: 263.125
Hydrophobic surface: 403.042	Hydrophilic surface: 120.53

Pharmacophoric Properties
Hydrogen bond donors: 1	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.