MMsINC Database Search


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MMsINC code: MMs00262876

Type: Neutral
Formula: C₂₆H₃₅N

SMILES:

n1cc(ccc1-c1ccc(cc1)C12CCC(CC1)(CC2)CC)CCCCC

InChI:

InChI=1/C26H35N/c1-3-5-6-7-21-8-13-24(27-20-21)22-9-11-23(12-10-22)26-17-14-25(4-2,15-18-26)16-19-26/h8-13,20H,3-7,14-19H2,1-2H3/t25-,26-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.944 kcal/mol

Physical Properties
Molecular Weight: 361.573 g/mol	logS: -9.65009	SlogP: 7.48327	Reactive groups: 0

Topological Properties
Globularity: 0.0308357	Sterimol/B1: 2.71017	Sterimol/B2: 2.94693	Sterimol/B3: 4.39661
Sterimol/B4: 4.64903	Sterimol/L: 23.4136

Surface and Volume Properties
Accessible surface: 691.759	Positive charged surface: 492.285	Negative charged surface: 193.882	Volume: 403.125
Hydrophobic surface: 634.364	Hydrophilic surface: 57.395

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.