MMsINC Database Search


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MMsINC code: MMs03446539

Type: Neutral
Formula: C₁₅H₁₇N₂O₃P

SMILES:

P1(Oc2c(c(cnc2C)CO)C1NCc1ccccc1)O

InChI:

InChI=1/C15H17N2O3P/c1-10-14-13(12(9-18)8-16-10)15(21(19)20-14)17-7-11-5-3-2-4-6-11/h2-6,8,15,17-19H,7,9H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7619 kcal/mol

Physical Properties
Molecular Weight: 304.286 g/mol	logS: -1.482	SlogP: 2.99562	Reactive groups: 1

Topological Properties
Globularity: 0.110373	Sterimol/B1: 2.38726	Sterimol/B2: 3.81693	Sterimol/B3: 4.99975
Sterimol/B4: 7.39561	Sterimol/L: 14.5823

Surface and Volume Properties
Accessible surface: 527.091	Positive charged surface: 367.495	Negative charged surface: 159.596	Volume: 280.75
Hydrophobic surface: 408.7	Hydrophilic surface: 118.391

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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: no related molecules available.