MMsINC Database Search


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MMsINC code: MMs03241245

Type: Neutral
Formula: C₂₆H₂₅NO

SMILES:

Oc1c2c(cccc2)c(cc1C)C(c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C26H25NO/c1-18-17-24(22-11-7-8-12-23(22)26(18)28)25(19-9-5-4-6-10-19)20-13-15-21(16-14-20)27(2)3/h4-17,25,28H,1-3H3/t25-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.275 kcal/mol

Physical Properties
Molecular Weight: 367.492 g/mol	logS: -6.74753	SlogP: 6.10002	Reactive groups: 0

Topological Properties
Globularity: 0.298497	Sterimol/B1: 2.00543	Sterimol/B2: 4.88709	Sterimol/B3: 7.482
Sterimol/B4: 8.59234	Sterimol/L: 14.5744

Surface and Volume Properties
Accessible surface: 643.803	Positive charged surface: 423.512	Negative charged surface: 213.112	Volume: 380.875
Hydrophobic surface: 606.968	Hydrophilic surface: 36.835

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.