MMsINC Database Search


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MMsINC code: MMs03141688

Type: Neutral
Formula: C₂₄H₃₁NO₂

SMILES:

O(Cc1cc(ccc1)C(=O)NC1CCCCCC1)c1ccc(cc1)C(C)C

InChI:

InChI=1/C24H31NO2/c1-18(2)20-12-14-23(15-13-20)27-17-19-8-7-9-21(16-19)24(26)25-22-10-5-3-4-6-11-22/h7-9,12-16,18,22H,3-6,10-11,17H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3244 kcal/mol

Physical Properties
Molecular Weight: 365.517 g/mol	logS: -6.84001	SlogP: 6.108	Reactive groups: 0

Topological Properties
Globularity: 0.0306467	Sterimol/B1: 2.49189	Sterimol/B2: 2.6697	Sterimol/B3: 4.88532
Sterimol/B4: 8.31594	Sterimol/L: 21.8203

Surface and Volume Properties
Accessible surface: 707.036	Positive charged surface: 468.561	Negative charged surface: 238.475	Volume: 390.5
Hydrophobic surface: 624.306	Hydrophilic surface: 82.73

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