MMsINC Database Search


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MMsINC code: MMs01863421

Type: Neutral
Formula: C₁₃H₂₀N₂O₃P-

SMILES:

P(=O)([O-])(C(N(C(=O)C)C)c1ccccc1)CN(C)C

InChI:

InChI=1/C13H21N2O3P/c1-11(16)15(4)13(12-8-6-5-7-9-12)19(17,18)10-14(2)3/h5-9,13H,10H2,1-4H3,(H,17,18)/p-1/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1746 kcal/mol

Physical Properties
Molecular Weight: 283.288 g/mol	logS: -0.40912	SlogP: 0.3463	Reactive groups: 0

Topological Properties
Globularity: 0.187886	Sterimol/B1: 2.24654	Sterimol/B2: 2.57507	Sterimol/B3: 5.19357
Sterimol/B4: 7.48708	Sterimol/L: 14.0858

Surface and Volume Properties
Accessible surface: 507.18	Positive charged surface: 345.305	Negative charged surface: 161.876	Volume: 275
Hydrophobic surface: 438.194	Hydrophilic surface: 68.986

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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.