MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01982758

Type: Neutral
Formula: C₂₃H₁₇NO₄

SMILES:

O(C(=O)c1ccccc1)c1ccc(cc1)CCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C23H17NO4/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-14-16-10-12-18(13-11-16)28-23(27)17-6-2-1-3-7-17/h1-13H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3931 kcal/mol

Physical Properties
Molecular Weight: 371.392 g/mol	logS: -5.87816	SlogP: 3.74447	Reactive groups: 0

Topological Properties
Globularity: 0.0223195	Sterimol/B1: 3.31394	Sterimol/B2: 3.62051	Sterimol/B3: 3.93285
Sterimol/B4: 4.05551	Sterimol/L: 22.2338

Surface and Volume Properties
Accessible surface: 647.721	Positive charged surface: 346.101	Negative charged surface: 301.62	Volume: 352.25
Hydrophobic surface: 541.471	Hydrophilic surface: 106.25

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.