MMsINC Database Search


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

MMsINC code: MMs01638111

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(=O)NC(Cc1ccccc1)C(OC)=O

InChI:

InChI=1/C24H23NO4/c1-28-24(27)22(16-18-8-4-2-5-9-18)25-23(26)20-12-14-21(15-13-20)29-17-19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,26)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.025 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.58683	SlogP: 4.04607	Reactive groups: 0

Topological Properties
Globularity: 0.0487806	Sterimol/B1: 2.14218	Sterimol/B2: 2.89921	Sterimol/B3: 4.98706
Sterimol/B4: 10.623	Sterimol/L: 19.7821

Surface and Volume Properties
Accessible surface: 707.02	Positive charged surface: 423.72	Negative charged surface: 283.3	Volume: 386.5
Hydrophobic surface: 637.606	Hydrophilic surface: 69.414

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.