MMsINC Database Search


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MMsINC code: MMs02372236

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O=C1CCC(N(C(=O)c2ccccc2)CCCC)c2c1[nH]c1c2cccc1

InChI:

InChI=1/C23H24N2O2/c1-2-3-15-25(23(27)16-9-5-4-6-10-16)19-13-14-20(26)22-21(19)17-11-7-8-12-18(17)24-22/h4-12,19,24H,2-3,13-15H2,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.907 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.21738	SlogP: 5.2235	Reactive groups: 0

Topological Properties
Globularity: 0.243377	Sterimol/B1: 2.99515	Sterimol/B2: 3.02166	Sterimol/B3: 5.3737
Sterimol/B4: 8.65531	Sterimol/L: 14.0077

Surface and Volume Properties
Accessible surface: 599.655	Positive charged surface: 356.631	Negative charged surface: 240.521	Volume: 359.375
Hydrophobic surface: 491.614	Hydrophilic surface: 108.041

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.