MMsINC Database Search


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MMsINC code: MMs03475484

Type: Neutral
Formula: C₁₈H₂₆NO₆P

SMILES:

P(OCC)(OCC)(=O)C1N(C(Cc2ccccc2)C(OC)=O)C(=O)CC1

InChI:

InChI=1/C18H26NO6P/c1-4-24-26(22,25-5-2)17-12-11-16(20)19(17)15(18(21)23-3)13-14-9-7-6-8-10-14/h6-10,15,17H,4-5,11-13H2,1-3H3/t15-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7492 kcal/mol

Physical Properties
Molecular Weight: 383.381 g/mol	logS: -2.68318	SlogP: 1.91507	Reactive groups: 0

Topological Properties
Globularity: 0.291409	Sterimol/B1: 2.24786	Sterimol/B2: 3.96294	Sterimol/B3: 6.15919
Sterimol/B4: 10.6806	Sterimol/L: 12.982

Surface and Volume Properties
Accessible surface: 617.143	Positive charged surface: 422.554	Negative charged surface: 194.589	Volume: 361
Hydrophobic surface: 514.112	Hydrophilic surface: 103.031

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.