MMsINC Database Search


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MMsINC code: MMs03419918

Type: Neutral
Formula: C₉H₁₀N₅O₅P

SMILES:

P(O)(O)(=O)\C=C\n1c2N=C(NC(=O)c2nc1)NC(=O)C

InChI:

InChI=1/C9H10N5O5P/c1-5(15)11-9-12-7-6(8(16)13-9)10-4-14(7)2-3-20(17,18)19/h2-4H,1H3,(H2,17,18,19)(H2,11,12,13,15,16)/b3-2+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-13.4377 kcal/mol

Physical Properties
Molecular Weight: 299.183 g/mol	logS: -0.75955	SlogP: -1.7142	Reactive groups: 0

Topological Properties
Globularity: 0.025234	Sterimol/B1: 2.45961	Sterimol/B2: 3.06797	Sterimol/B3: 3.11875
Sterimol/B4: 8.58225	Sterimol/L: 13.3077

Surface and Volume Properties
Accessible surface: 489.299	Positive charged surface: 266.782	Negative charged surface: 222.517	Volume: 231.5
Hydrophobic surface: 177.468	Hydrophilic surface: 311.831

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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.