MMsINC Database Search


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MMsINC code: MMs02201884

Type: Neutral
Formula: C₂₀H₁₈NO₅P

SMILES:

P(Oc1c(cccc1C)C(=O)Nc1ccccc1)(Oc1ccccc1)(O)=O

InChI:

InChI=1/C20H18NO5P/c1-15-9-8-14-18(20(22)21-16-10-4-2-5-11-16)19(15)26-27(23,24)25-17-12-6-3-7-13-17/h2-14H,1H3,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7159 kcal/mol

Physical Properties
Molecular Weight: 383.34 g/mol	logS: -5.05538	SlogP: 3.73532	Reactive groups: 0

Topological Properties
Globularity: 0.0861566	Sterimol/B1: 3.11166	Sterimol/B2: 3.2284	Sterimol/B3: 4.23326
Sterimol/B4: 9.98425	Sterimol/L: 14.9488

Surface and Volume Properties
Accessible surface: 613.073	Positive charged surface: 325.122	Negative charged surface: 287.95	Volume: 344.625
Hydrophobic surface: 538.317	Hydrophilic surface: 74.756

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.