MMsINC Database Search


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MMsINC code: MMs01747867

Type: Neutral
Formula: C₁₅H₁₉N₂O₃P

SMILES:

P(OC)(=O)(C(O)c1ncccc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C15H19N2O3P/c1-17(2)12-7-9-13(10-8-12)21(19,20-3)15(18)14-6-4-5-11-16-14/h4-11,15,18H,1-3H3/t15-,21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.8785 kcal/mol

Physical Properties
Molecular Weight: 306.302 g/mol	logS: -1.44896	SlogP: 1.4138	Reactive groups: 0

Topological Properties
Globularity: 0.0621861	Sterimol/B1: 2.86669	Sterimol/B2: 2.98948	Sterimol/B3: 4.3445
Sterimol/B4: 6.70469	Sterimol/L: 16.7565

Surface and Volume Properties
Accessible surface: 547.703	Positive charged surface: 408.513	Negative charged surface: 139.189	Volume: 291.875
Hydrophobic surface: 490.688	Hydrophilic surface: 57.015

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.