MMsINC Database Search


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MMsINC code: MMs03215607

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

O(C)c1cc2c3c(n(c2cc1)CCC(C)C)c(c1c(cncc1)c3C)C

InChI:

InChI=1/C23H26N2O/c1-14(2)9-11-25-21-7-6-17(26-5)12-19(21)22-15(3)20-13-24-10-8-18(20)16(4)23(22)25/h6-8,10,12-14H,9,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.105 kcal/mol

Physical Properties
Molecular Weight: 346.474 g/mol	logS: -6.2794	SlogP: 6.28064	Reactive groups: 0

Topological Properties
Globularity: 0.0657606	Sterimol/B1: 2.29171	Sterimol/B2: 4.33785	Sterimol/B3: 6.01652
Sterimol/B4: 8.6401	Sterimol/L: 14.1799

Surface and Volume Properties
Accessible surface: 603.21	Positive charged surface: 406.159	Negative charged surface: 175.383	Volume: 359.625
Hydrophobic surface: 537.823	Hydrophilic surface: 65.387

Pharmacophoric Properties
Hydrogen bond donors: 0	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.