MMsINC Database Search


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MMsINC code: MMs01603380

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O=C(C(NC(=O)CN(C)c1cc2c(cc1)cccc2)Cc1ccccc1)C

InChI:

InChI=1/C23H24N2O2/c1-17(26)22(14-18-8-4-3-5-9-18)24-23(27)16-25(2)21-13-12-19-10-6-7-11-20(19)15-21/h3-13,15,22H,14,16H2,1-2H3,(H,24,27)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.89 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.53082	SlogP: 3.59247	Reactive groups: 0

Topological Properties
Globularity: 0.0704076	Sterimol/B1: 2.41687	Sterimol/B2: 2.52015	Sterimol/B3: 4.68051
Sterimol/B4: 8.92253	Sterimol/L: 17.5609

Surface and Volume Properties
Accessible surface: 652.457	Positive charged surface: 384.031	Negative charged surface: 258.164	Volume: 370.625
Hydrophobic surface: 595.979	Hydrophilic surface: 56.478

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.