MMsINC Database Search


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MMsINC code: MMs00719899

Type: Neutral
Formula: C₂₄H₂₉NO₃

SMILES:

O(CCOCCOc1c2nc(ccc2ccc1)C)c1cc(ccc1C(C)C)C

InChI:

InChI=1/C24H29NO3/c1-17(2)21-11-8-18(3)16-23(21)28-15-13-26-12-14-27-22-7-5-6-20-10-9-19(4)25-24(20)22/h5-11,16-17H,12-15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.907 kcal/mol

Physical Properties
Molecular Weight: 379.5 g/mol	logS: -5.98938	SlogP: 5.44944	Reactive groups: 0

Topological Properties
Globularity: 0.153247	Sterimol/B1: 2.03499	Sterimol/B2: 4.11102	Sterimol/B3: 5.44801
Sterimol/B4: 8.99947	Sterimol/L: 16.1648

Surface and Volume Properties
Accessible surface: 744.819	Positive charged surface: 515.239	Negative charged surface: 224.703	Volume: 397
Hydrophobic surface: 682.539	Hydrophilic surface: 62.28

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

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Ions/Tautomers related molecules: no related molecules available.