MMsINC Database Search


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MMsINC code: MMs00747406

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

O(CCn1c2c(c3c1cccc3)cccc2)c1cc(C)c(cc1)C(C)C

InChI:

InChI=1/C24H25NO/c1-17(2)20-13-12-19(16-18(20)3)26-15-14-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-13,16-17H,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.178 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -7.23847	SlogP: 6.57172	Reactive groups: 0

Topological Properties
Globularity: 0.104111	Sterimol/B1: 2.46467	Sterimol/B2: 5.92564	Sterimol/B3: 6.00641
Sterimol/B4: 6.09672	Sterimol/L: 16.1412

Surface and Volume Properties
Accessible surface: 645.922	Positive charged surface: 382.936	Negative charged surface: 252.067	Volume: 362.75
Hydrophobic surface: 598.374	Hydrophilic surface: 47.548

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: 1

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Ions/Tautomers related molecules: no related molecules available.