MMsINC Database Search


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

MMsINC code: MMs01915833

Type: Neutral
Formula: C₁₉H₂₇N₂O₃P

SMILES:

P(OCC)(=O)(C(O)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H27N2O3P/c1-6-24-25(23,18-13-11-17(12-14-18)21(4)5)19(22)15-7-9-16(10-8-15)20(2)3/h7-14,19,22H,6H2,1-5H3/t19-,25+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.635 kcal/mol

Physical Properties
Molecular Weight: 362.41 g/mol	logS: -2.8088	SlogP: 2.4749	Reactive groups: 0

Topological Properties
Globularity: 0.201624	Sterimol/B1: 2.12392	Sterimol/B2: 2.40633	Sterimol/B3: 7.07947
Sterimol/B4: 10.5203	Sterimol/L: 14.18

Surface and Volume Properties
Accessible surface: 623.325	Positive charged surface: 478.077	Negative charged surface: 145.248	Volume: 363
Hydrophobic surface: 538.838	Hydrophilic surface: 84.487

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.