MMsINC Database Search


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MMsINC code: MMs01180568

Type: Neutral
Formula: C₂₄H₂₉NO₃

SMILES:

O1c2cc(ccc2OC1)CC(=O)N(Cc1ccccc1C)CC1CCCCC1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7003 kcal/mol

Physical Properties
Molecular Weight: 379.5 g/mol	logS: -5.85778	SlogP: 5.14169	Reactive groups: 0

Topological Properties
Globularity: 0.142974	Sterimol/B1: 2.30981	Sterimol/B2: 3.66683	Sterimol/B3: 6.13432
Sterimol/B4: 9.26584	Sterimol/L: 16.452

Surface and Volume Properties
Accessible surface: 666.171	Positive charged surface: 458.313	Negative charged surface: 207.857	Volume: 388.25
Hydrophobic surface: 593.043	Hydrophilic surface: 73.128

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.