MMsINC Database Search


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MMsINC code: MMs00891682

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

o1cccc1CNC(=O)CCc1c2c(n(c1)Cc1ccc(cc1)C)cccc2

InChI:

InChI=1/C24H24N2O2/c1-18-8-10-19(11-9-18)16-26-17-20(22-6-2-3-7-23(22)26)12-13-24(27)25-15-21-5-4-14-28-21/h2-11,14,17H,12-13,15-16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9506 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.4196	SlogP: 5.37279	Reactive groups: 0

Topological Properties
Globularity: 0.047726	Sterimol/B1: 2.61997	Sterimol/B2: 3.06852	Sterimol/B3: 5.24256
Sterimol/B4: 7.9287	Sterimol/L: 21.1401

Surface and Volume Properties
Accessible surface: 698.695	Positive charged surface: 406.727	Negative charged surface: 287.15	Volume: 380.375
Hydrophobic surface: 612.251	Hydrophilic surface: 86.444

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.