MMsINC Database Search


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MMsINC code: MMs00958265

Type: Ionized
Formula: C₁₉H₁₆FN₂O₃-

SMILES:

Fc1ccccc1NC(=O)Cc1c2cc(ccc2n(C)c1C(=O)[O-])C

InChI:

InChI=1/C19H17FN2O3/c1-11-7-8-16-12(9-11)13(18(19(24)25)22(16)2)10-17(23)21-15-6-4-3-5-14(15)20/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2882 kcal/mol

Physical Properties
Molecular Weight: 339.346 g/mol	logS: -4.75192	SlogP: 2.52969	Reactive groups: 0

Topological Properties
Globularity: 0.0930665	Sterimol/B1: 2.08078	Sterimol/B2: 3.03668	Sterimol/B3: 4.43393
Sterimol/B4: 8.59334	Sterimol/L: 15.4446

Surface and Volume Properties
Accessible surface: 555.18	Positive charged surface: 315.701	Negative charged surface: 234.552	Volume: 311.125
Hydrophobic surface: 468.008	Hydrophilic surface: 87.172

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs00958264
CHEMDIV-ZINC04821770