MMsINC Database Search


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MMsINC code: MMs02838511

Type: Neutral
Formula: C₁₉H₁₈NO₅P

SMILES:

P(Oc1cc2c(cc1C(=O)Nc1ccc(cc1C)C)cccc2)(O)(O)=O

InChI:

InChI=1/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.7051 kcal/mol

Physical Properties
Molecular Weight: 371.329 g/mol	logS: -5.35992	SlogP: 3.11024	Reactive groups: 0

Topological Properties
Globularity: 0.045759	Sterimol/B1: 2.94192	Sterimol/B2: 3.84848	Sterimol/B3: 5.14418
Sterimol/B4: 6.7851	Sterimol/L: 17.1107

Surface and Volume Properties
Accessible surface: 606.967	Positive charged surface: 318.121	Negative charged surface: 279.172	Volume: 329.125
Hydrophobic surface: 458.286	Hydrophilic surface: 148.681

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.