MMsINC Database Search


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MMsINC code: MMs02343974

Type: Neutral
Formula: C₂₄H₂₇NO

SMILES:

O(CCN(C)C)c1ccc(cc1Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H27NO/c1-25(2)15-16-26-24-14-13-22(17-20-9-5-3-6-10-20)19-23(24)18-21-11-7-4-8-12-21/h3-14,19H,15-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5764 kcal/mol

Physical Properties
Molecular Weight: 345.486 g/mol	logS: -5.25246	SlogP: 4.80854	Reactive groups: 0

Topological Properties
Globularity: 0.114445	Sterimol/B1: 2.17671	Sterimol/B2: 3.4664	Sterimol/B3: 4.70693
Sterimol/B4: 11.0287	Sterimol/L: 15.5966

Surface and Volume Properties
Accessible surface: 654.009	Positive charged surface: 457.071	Negative charged surface: 196.938	Volume: 377
Hydrophobic surface: 653.781	Hydrophilic surface: 0.22800000000007

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02343975
NCID-ZINC01718677