MMsINC Database Search


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MMsINC code: MMs02342882

Type: Neutral
Formula: C₁₇H₂₀NO₃P

SMILES:

P(OC)(=O)(C(C(=O)N(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C17H20NO3P/c1-18(2)17(19)16(14-10-6-4-7-11-14)22(20,21-3)15-12-8-5-9-13-15/h4-13,16H,1-3H3/t16-,22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.743 kcal/mol

Physical Properties
Molecular Weight: 317.325 g/mol	logS: -3.01516	SlogP: 2.0912	Reactive groups: 0

Topological Properties
Globularity: 0.200813	Sterimol/B1: 2.33841	Sterimol/B2: 3.19359	Sterimol/B3: 4.24317
Sterimol/B4: 9.39441	Sterimol/L: 14.6852

Surface and Volume Properties
Accessible surface: 538.385	Positive charged surface: 370.113	Negative charged surface: 168.272	Volume: 307.75
Hydrophobic surface: 506.989	Hydrophilic surface: 31.396

Pharmacophoric Properties
Hydrogen bond donors: 0	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.