MMsINC Database Search


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MMsINC code: MMs01764191

Type: Neutral
Formula: C₂₄H₂₁NO₂

SMILES:

Oc1cc2c(n(c(C)c2C(=O)c2ccccc2)-c2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C24H21NO2/c1-15-9-10-19(13-16(15)2)25-17(3)23(21-14-20(26)11-12-22(21)25)24(27)18-7-5-4-6-8-18/h4-14,26H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.782 kcal/mol

Physical Properties
Molecular Weight: 355.437 g/mol	logS: -6.36474	SlogP: 5.49236	Reactive groups: 0

Topological Properties
Globularity: 0.146786	Sterimol/B1: 2.94118	Sterimol/B2: 3.9525	Sterimol/B3: 4.70718
Sterimol/B4: 8.30427	Sterimol/L: 16.3322

Surface and Volume Properties
Accessible surface: 631.642	Positive charged surface: 349.409	Negative charged surface: 279.4	Volume: 359.875
Hydrophobic surface: 550.487	Hydrophilic surface: 81.155

Pharmacophoric Properties
Hydrogen bond donors: 1	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.