MMsINC Database Search


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MMsINC code: MMs01847850

Type: Neutral
Formula: C₁₉H₂₇N₂O₃P

SMILES:

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

InChI:

InChI=1/C19H27N2O3P/c1-15(2)12-14-24-25(23,19(22)18-7-5-6-13-20-18)17-10-8-16(9-11-17)21(3)4/h5-11,13,15,19,22H,12,14H2,1-4H3/t19-,25-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.92 kcal/mol

Physical Properties
Molecular Weight: 362.41 g/mol	logS: -3.00838	SlogP: 2.8301	Reactive groups: 0

Topological Properties
Globularity: 0.21721	Sterimol/B1: 2.49819	Sterimol/B2: 4.08756	Sterimol/B3: 5.4124
Sterimol/B4: 10.2502	Sterimol/L: 15.3932

Surface and Volume Properties
Accessible surface: 642.645	Positive charged surface: 465.178	Negative charged surface: 177.467	Volume: 361.5
Hydrophobic surface: 537.511	Hydrophilic surface: 105.134

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.