MMsINC Database Search


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MMsINC code: MMs01761510

Type: Neutral
Formula: C₂₄H₃₁NO₂

SMILES:

O(C(C)C)c1ccc(cc1)C(CC(=O)N1CCCCC1)c1ccc(cc1)C

InChI:

InChI=1/C24H31NO2/c1-18(2)27-22-13-11-21(12-14-22)23(20-9-7-19(3)8-10-20)17-24(26)25-15-5-4-6-16-25/h7-14,18,23H,4-6,15-17H2,1-3H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6182 kcal/mol

Physical Properties
Molecular Weight: 365.517 g/mol	logS: -4.94374	SlogP: 5.31672	Reactive groups: 0

Topological Properties
Globularity: 0.0859189	Sterimol/B1: 2.04452	Sterimol/B2: 3.56987	Sterimol/B3: 4.40087
Sterimol/B4: 11.4395	Sterimol/L: 17.7541

Surface and Volume Properties
Accessible surface: 686.38	Positive charged surface: 484.348	Negative charged surface: 202.032	Volume: 387.25
Hydrophobic surface: 623.319	Hydrophilic surface: 63.061

Pharmacophoric Properties
Hydrogen bond donors: 0	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.