MMsINC Database Search


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MMsINC code: MMs00661153

Type: Neutral
Formula: C₂₄H₃₁NO₄

SMILES:

O(C)c1cc(ccc1OC)C1(CCCC1)CNC(=O)c1ccc(OC(C)C)cc1

InChI:

InChI=1/C24H31NO4/c1-17(2)29-20-10-7-18(8-11-20)23(26)25-16-24(13-5-6-14-24)19-9-12-21(27-3)22(15-19)28-4/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.612 kcal/mol

Physical Properties
Molecular Weight: 397.515 g/mol	logS: -5.49788	SlogP: 4.7328	Reactive groups: 0

Topological Properties
Globularity: 0.146105	Sterimol/B1: 2.70181	Sterimol/B2: 5.56029	Sterimol/B3: 5.96145
Sterimol/B4: 7.21235	Sterimol/L: 16.7326

Surface and Volume Properties
Accessible surface: 703.794	Positive charged surface: 510.564	Negative charged surface: 193.231	Volume: 403.625
Hydrophobic surface: 608.585	Hydrophilic surface: 95.209

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.