MMsINC Database Search


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MMsINC code: MMs02284869

Type: Neutral
Formula: C₁₇H₂₀NO₆P

SMILES:

P(OC)(OC)(=O)\C(=C\c1c2c(n(c1)C(=O)C)cccc2)\C(OCC)=O

InChI:

InChI=1/C17H20NO6P/c1-5-24-17(20)16(25(21,22-3)23-4)10-13-11-18(12(2)19)15-9-7-6-8-14(13)15/h6-11H,5H2,1-4H3/b16-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8941 kcal/mol

Physical Properties
Molecular Weight: 365.322 g/mol	logS: -3.26461	SlogP: 2.6211	Reactive groups: 0

Topological Properties
Globularity: 0.103757	Sterimol/B1: 3.25364	Sterimol/B2: 4.45855	Sterimol/B3: 4.80147
Sterimol/B4: 6.28649	Sterimol/L: 16.0211

Surface and Volume Properties
Accessible surface: 584.863	Positive charged surface: 374.889	Negative charged surface: 205.314	Volume: 331.5
Hydrophobic surface: 464.486	Hydrophilic surface: 120.377

Pharmacophoric Properties
Hydrogen bond donors: 0	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.