MMsINC Database Search


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MMsINC code: MMs01154636

Type: Neutral
Formula: C₂₃H₃₇NO

SMILES:

O=C(N(CC(C)C)C/C(=C\c1ccccc1)/CCCCC)CC(C)C

InChI:

InChI=1/C23H37NO/c1-6-7-9-14-22(16-21-12-10-8-11-13-21)18-24(17-20(4)5)23(25)15-19(2)3/h8,10-13,16,19-20H,6-7,9,14-15,17-18H2,1-5H3/b22-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1436 kcal/mol

Physical Properties
Molecular Weight: 343.555 g/mol	logS: -5.97899	SlogP: 6.181	Reactive groups: 0

Topological Properties
Globularity: 0.0782896	Sterimol/B1: 3.34593	Sterimol/B2: 3.88461	Sterimol/B3: 4.19314
Sterimol/B4: 9.70823	Sterimol/L: 16.2984

Surface and Volume Properties
Accessible surface: 678.07	Positive charged surface: 467.34	Negative charged surface: 210.73	Volume: 394.625
Hydrophobic surface: 562.699	Hydrophilic surface: 115.371

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.