MMsINC Database Search


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MMsINC code: MMs01915834

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+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.327 kcal/mol

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

Topological Properties
Globularity: 0.0570848	Sterimol/B1: 2.2045	Sterimol/B2: 2.79784	Sterimol/B3: 4.99761
Sterimol/B4: 7.89554	Sterimol/L: 18.8307

Surface and Volume Properties
Accessible surface: 649.22	Positive charged surface: 495.206	Negative charged surface: 154.014	Volume: 361
Hydrophobic surface: 575.527	Hydrophilic surface: 73.693

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

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Ions/Tautomers related molecules: no related molecules available.