MMsINC Database Search


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MMsINC code: MMs01301201

Type: Tautomer
Formula: C₁₅H₁₇FNO₃P

SMILES:

P(O)(O)(=O)C(NC(C)c1ccccc1)c1ccc(F)cc1

InChI:

InChI=1/C15H17FNO3P/c1-11(12-5-3-2-4-6-12)17-15(21(18,19)20)13-7-9-14(16)10-8-13/h2-11,15,17H,1H3,(H2,18,19,20)/t11-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.4884 kcal/mol

Physical Properties
Molecular Weight: 309.277 g/mol	logS: -2.72668	SlogP: 2.4736	Reactive groups: 0

Topological Properties
Globularity: 0.15924	Sterimol/B1: 2.18992	Sterimol/B2: 3.6413	Sterimol/B3: 5.46151
Sterimol/B4: 6.50478	Sterimol/L: 14.651

Surface and Volume Properties
Accessible surface: 522.878	Positive charged surface: 283.744	Negative charged surface: 239.134	Volume: 280.5
Hydrophobic surface: 386.824	Hydrophilic surface: 136.054

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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:

MMs01301200
ENAMINE-ZINC03191056