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MMsINC code: MMs02261117

Type: Neutral
Formula: C₁₀H₁₅N₂O₇P

SMILES:

P(OCC1OC(N2C=C(C)C(=O)NC2=O)CC1)(O)(O)=O

InChI:

InChI=1/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-67.4265 kcal/mol

Physical Properties
Molecular Weight: 306.211 g/mol	logS: -0.4848	SlogP: -1.0138	Reactive groups: 0

Topological Properties
Globularity: 0.0746701	Sterimol/B1: 2.02499	Sterimol/B2: 3.01105	Sterimol/B3: 3.5891
Sterimol/B4: 8.22105	Sterimol/L: 13.3912

Surface and Volume Properties
Accessible surface: 501.155	Positive charged surface: 301.247	Negative charged surface: 199.908	Volume: 243.25
Hydrophobic surface: 227.978	Hydrophilic surface: 273.177

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 7	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

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Ions/Tautomers related molecules

MMs02261118
NCID-ZINC01610270