MMsINC Database Search


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MMsINC code: MMs00431987

Type: Neutral
Formula: C₂₄H₃₃NO

SMILES:

O(CC)c1ccc(cc1)-c1ncc(cc1)C1CCC(CC1)CCCCC

InChI:

InChI=1/C24H33NO/c1-3-5-6-7-19-8-10-20(11-9-19)22-14-17-24(25-18-22)21-12-15-23(16-13-21)26-4-2/h12-20H,3-11H2,1-2H3/t19-,20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.569 kcal/mol

Physical Properties
Molecular Weight: 351.534 g/mol	logS: -8.11014	SlogP: 7.0014	Reactive groups: 0

Topological Properties
Globularity: 0.0236665	Sterimol/B1: 2.64252	Sterimol/B2: 2.92829	Sterimol/B3: 4.49369
Sterimol/B4: 5.14881	Sterimol/L: 24.8748

Surface and Volume Properties
Accessible surface: 704.567	Positive charged surface: 510.943	Negative charged surface: 187.661	Volume: 392.375
Hydrophobic surface: 637.173	Hydrophilic surface: 67.394

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.