MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01746421

Type: Neutral
Formula: C₁₅H₁₉N₂O₃P

SMILES:

P(OC)(=O)(C(O)c1cccnc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C15H19N2O3P/c1-17(2)13-6-8-14(9-7-13)21(19,20-3)15(18)12-5-4-10-16-11-12/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)=96.499 kcal/mol

Physical Properties
Molecular Weight: 306.302 g/mol	logS: -1.29604	SlogP: 1.4138	Reactive groups: 0

Topological Properties
Globularity: 0.162831	Sterimol/B1: 2.98067	Sterimol/B2: 4.91473	Sterimol/B3: 5.56594
Sterimol/B4: 5.91988	Sterimol/L: 13.221

Surface and Volume Properties
Accessible surface: 520.834	Positive charged surface: 389.441	Negative charged surface: 131.393	Volume: 294.75
Hydrophobic surface: 438.89	Hydrophilic surface: 81.944

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.